General Information of the Compound
| Compound ID |
CP0396521
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| Compound Name |
1-(3,4-dichloroanilino)-6-(3-spiro[1H-2-benzothiophene-3,4'-piperidine]-1'-ylpropyl)-8,9-dihydro-7H-pyrido[4,3-c]azepin-5-one
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| Structure |
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| Formula |
C30H32Cl2N4OS
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| Molecular Weight |
567.586
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| Canonical SMILES |
Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCC4(CC2)SCc2ccccc42)C3=O)cc1Cl
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| InChI |
InChI=1S/C30H32Cl2N4OS/c31-26-9-8-22(19-27(26)32)34-28-23-6-3-15-36(29(37)24(23)10-13-33-28)16-4-14-35-17-11-30(12-18-35)25-7-2-1-5-21(25)20-38-30/h1-2,5,7-10,13,19H,3-4,6,11-12,14-18,20H2,(H,33,34)
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| InChIKey |
KIJVLVSXBUKOHJ-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