기본 정보
- CAS
186430-23-9- 표준 SMILES
O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1- InChIKey
YDCGVASFVACWKF-NRFANRHFSA-N- 분자식
- C23H23ClFN3O3
- 평균 분자량
- 443.9 g/mol
개요
structure in first source
이름 및 식별자
- 우선 이름
- CP-320626
- IUPAC
- 5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
- 영어명
- CP-320626
- 분자식
- C23H23ClFN3O3
- 분자량
- 443.9
이름 및 동의어
CP-320626186430-23-9FKX709RK3Q1H-Indole-2-carboxamide, 5-chloro-N-((1S)-1-((4-fluorophenyl)methyl)-2-(4-hydroxy-1-piperidinyl)-2-oxoethyl)-5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamideCP 3206261H-Indole-2-carboxamide, 5-chloro-N-(1-((4-fluorophenyl)methyl)-2-(4-hydroxy-1-piperidinyl)-2-oxoethyl)-, (S)-5-chloro-N-((2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl)-1H-indole-2-carboxamideRefChem:579355UNII-FKX709RK3QCHEMBL998895-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE
이름 더 보기
1H-Indole-2-carboxamide, 5-chloro-N-[(1S)-1-[(4-fluorophenyl)methyl]-2-(4-hydroxy-1-piperidinyl)-2-oxoethyl]-
5-chloro-N-((2S)-3-(4-fluorophenyl)-1-(4-hydroxy-1-piperidinyl)-1-oxo-2-propanyl)-1H-indole-2-carboxamide(S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl)-1H-indole-2-carboxamideYDCGVASFVACWKF-NRFANRHFSA-Norb1697702SCHEMBL7234251SCHEMBL29512532BDBM35346cp320626
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 85.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 638
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 770.8 · 770.8±60.0 °C(Predicted)
- 밀도
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.06 · 14.06±0.46(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
공급사13 곳
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