General Information of the Compound
| Compound ID |
CP0060278
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| Compound Name |
N-(1H-imidazol-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 |
C16H15N5O2
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| Molecular Weight |
309.329
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| Canonical SMILES |
O=C(Nc1ncc[nH]1)c1ccc2cc3C(=O)NCCCn3c2c1
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| InChI |
InChI=1S/C16H15N5O2/c22-14(20-16-18-5-6-19-16)11-3-2-10-8-13-15(23)17-4-1-7-21(13)12(10)9-11/h2-3,5-6,8-9H,1,4,7H2,(H,17,23)(H2,18,19,20,22)
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| InChIKey |
VSYFECVWSJTEIL-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