General Information of the Compound
| Compound ID |
CP0298462
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| Compound Name |
1-oxo-N-(1-propan-2-ylbenzimidazol-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 |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
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| InChI |
InChI=1S/C23H23N5O2/c1-14(2)28-18-7-4-3-6-17(18)25-23(28)26-21(29)16-9-8-15-12-20-22(30)24-10-5-11-27(20)19(15)13-16/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,24,30)(H,25,26,29)
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| InChIKey |
HZZNLCVNOOMGDD-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