General Information of the Compound
| Compound ID |
CP0389882
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| Compound Name |
1-(3,4-dichloroanilino)-6-(3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)-8,9-dihydro-7H-pyrido[4,3-c]azepin-5-one
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| Structure |
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| Formula |
C31H32Cl2N4O
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| Molecular Weight |
547.53
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| Canonical SMILES |
Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCC4(CC2)C=Cc2ccccc42)C3=O)cc1Cl
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| InChI |
InChI=1S/C31H32Cl2N4O/c32-27-9-8-23(21-28(27)33)35-29-24-6-3-17-37(30(38)25(24)11-15-34-29)18-4-16-36-19-13-31(14-20-36)12-10-22-5-1-2-7-26(22)31/h1-2,5,7-12,15,21H,3-4,6,13-14,16-20H2,(H,34,35)
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| InChIKey |
VDCAMWBRLTYSEZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound