General Information of the Compound
| Compound ID |
CP0531982
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| Compound Name |
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C23H26ClN5O
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| Molecular Weight |
423.948
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)C2CCC2)c2ccccc12
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| InChI |
InChI=1S/C23H26ClN5O/c1-27-11-13-28(14-12-27)22-18-7-2-3-8-20(18)29(26-23(30)16-5-4-6-16)21-10-9-17(24)15-19(21)25-22/h2-3,7-10,15-16H,4-6,11-14H2,1H3,(H,26,30)
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| InChIKey |
FIQNQKQDCYXHAB-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