General Information of the Compound
| Compound ID |
CP0251135
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| Compound Name |
N-[6-chloro-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
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| Structure |
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| Formula |
C25H27ClN6O2
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| Molecular Weight |
478.984
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| Canonical SMILES |
CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C25H27ClN6O2/c1-30(2)10-4-12-32-21-15-18(26)7-8-19(21)28-25(32)29-23(33)17-6-5-16-13-22-24(34)27-9-3-11-31(22)20(16)14-17/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,27,34)(H,28,29,33)
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| InChIKey |
VCZQSUBZCZZLAX-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