General Information of the Compound
| Compound ID |
CP0355002
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| Compound Name |
N-[1-(cyclohexylmethyl)pyrazol-4-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 |
C23H27N5O2
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| Molecular Weight |
405.502
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| Canonical SMILES |
O=C(Nc1cnn(CC2CCCCC2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
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| InChI |
InChI=1S/C23H27N5O2/c29-22(26-19-13-25-27(15-19)14-16-5-2-1-3-6-16)18-8-7-17-11-21-23(30)24-9-4-10-28(21)20(17)12-18/h7-8,11-13,15-16H,1-6,9-10,14H2,(H,24,30)(H,26,29)
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| InChIKey |
YVUHNKZPGGBYDH-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