General Information of the Compound
| Compound ID |
CP0389883
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| Compound Name |
6-[3-(4-acetylpiperazin-1-yl)propyl]-1-(3,4-dichloroanilino)-8,9-dihydro-7H-pyrido[4,3-c]azepin-5-one
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| Structure |
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| Formula |
C24H29Cl2N5O2
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| Molecular Weight |
490.435
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| Canonical SMILES |
CC(=O)N1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1
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| InChI |
InChI=1S/C24H29Cl2N5O2/c1-17(32)30-14-12-29(13-15-30)9-3-11-31-10-2-4-19-20(24(31)33)7-8-27-23(19)28-18-5-6-21(25)22(26)16-18/h5-8,16H,2-4,9-15H2,1H3,(H,27,28)
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| InChIKey |
SCPDETREJQXLDK-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