General Information of the Compound
| Compound ID |
CP0253294
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| Compound Name |
N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-4,4-dimethyl-1-oxo-3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-8-carboxamide
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| Structure |
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| Formula |
C27H32N6O2
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| Molecular Weight |
472.593
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| Canonical SMILES |
CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3c2)nc2ccccc12
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| InChI |
InChI=1S/C27H32N6O2/c1-27(2)16-28-25(35)23-14-18-10-11-19(15-22(18)33(23)17-27)24(34)30-26-29-20-8-5-6-9-21(20)32(26)13-7-12-31(3)4/h5-6,8-11,14-15H,7,12-13,16-17H2,1-4H3,(H,28,35)(H,29,30,34)
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| InChIKey |
LQZKYXLZCLMOGP-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