General Information of the Compound
| Compound ID |
CP0223295
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| Compound Name |
1-oxo-N-(1-phenylbenzimidazol-2-yl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
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| Structure |
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| Formula |
C26H21N5O2
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| Molecular Weight |
435.487
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| Canonical SMILES |
O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc2cc3C(=O)NCCCn3c2c1
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| InChI |
InChI=1S/C26H21N5O2/c32-24(18-12-11-17-15-23-25(33)27-13-6-14-30(23)22(17)16-18)29-26-28-20-9-4-5-10-21(20)31(26)19-7-2-1-3-8-19/h1-5,7-12,15-16H,6,13-14H2,(H,27,33)(H,28,29,32)
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| InChIKey |
YARFNYLGLQVPEB-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