General Information of the Compound
| Compound ID |
CP0563235
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| Compound Name |
1-(3,4-dichloroanilino)-6-[3-(4-methylpiperazin-1-yl)propyl]-8,9-dihydro-7H-pyrido[4,3-c]azepin-5-one
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| Structure |
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| Formula |
C23H29Cl2N5O
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| Molecular Weight |
462.425
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| Canonical SMILES |
CN1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1
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| InChI |
InChI=1S/C23H29Cl2N5O/c1-28-12-14-29(15-13-28)9-3-11-30-10-2-4-18-19(23(30)31)7-8-26-22(18)27-17-5-6-20(24)21(25)16-17/h5-8,16H,2-4,9-15H2,1H3,(H,26,27)
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| InChIKey |
GOJYIHHFZSUQTM-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