General Information of the Compound
| Compound ID |
CP0530001
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| Compound Name |
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]acetamide
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| Structure |
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| Formula |
C20H22ClN5O
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| Molecular Weight |
383.883
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(C)=O)c2ccccc12
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| InChI |
InChI=1S/C20H22ClN5O/c1-14(27)23-26-18-6-4-3-5-16(18)20(25-11-9-24(2)10-12-25)22-17-13-15(21)7-8-19(17)26/h3-8,13H,9-12H2,1-2H3,(H,23,27)
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| InChIKey |
ZPPFNZLFERYCOZ-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