General Information of the Compound
| Compound ID |
CP0485636
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| Compound Name |
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C23H28ClN5O
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| Molecular Weight |
425.964
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)C(C)(C)C)c2ccccc12
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| InChI |
InChI=1S/C23H28ClN5O/c1-23(2,3)22(30)26-29-19-8-6-5-7-17(19)21(28-13-11-27(4)12-14-28)25-18-15-16(24)9-10-20(18)29/h5-10,15H,11-14H2,1-4H3,(H,26,30)
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| InChIKey |
GONNTLWNUJNXFW-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