[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5-amino-1H-indol-2-yl)methanone

HCID 392736
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Basic information

Standard SMILES
Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1
InChIKey
PBDNTIFKUNPLTI-UHFFFAOYSA-N
Molecular formula
C22H19ClN4O
Average molar mass
390.9 g/mol

Names & identifiers

Preferred name
[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5-amino-1H-indol-2-yl)methanone
IUPAC
[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5-amino-1H-indol-2-yl)methanone

Names & synonyms

NSC693542CHEMBL325876SCHEMBL8107146PBDNTIFKUNPLTI-UHFFFAOYSA-NNSC-693542[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5-amino-1H-indol-2-yl)methanoneNCI60_0334905-amino-3-[(5-aminoindol-2-yl)carbonyl]-1-(chloromethyl)-1,2-dihydro-3H-benz[e]indole2-((5-Amino-1-(chloromethyl)-1,2-dihydro-3H-benzo[e]indol-3-yl)carbonyl)-1H-indol-5-ylamine3-((5-Amino-1H-indol-2-yl)carbonyl)-1-(chloromethyl)-2,3-dihydro-1H-benzo[e]indol-5-amine

Database identifiers

PubChem CID
392736
ChEMBL
CHEMBL325876
Nikkaji
J1.175.299C

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
88.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
28

Related reactions

1 records
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Compound notes

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