General Information of the Compound
| Compound ID |
CP0312274
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| Compound Name |
N-(1,3-benzoxazol-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 |
C20H16N4O3
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| Molecular Weight |
360.373
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| Canonical SMILES |
O=C(Nc1nc2ccccc2o1)c1ccc2cc3C(=O)NCCCn3c2c1
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| InChI |
InChI=1S/C20H16N4O3/c25-18(23-20-22-14-4-1-2-5-17(14)27-20)13-7-6-12-10-16-19(26)21-8-3-9-24(16)15(12)11-13/h1-2,4-7,10-11H,3,8-9H2,(H,21,26)(H,22,23,25)
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| InChIKey |
XEMRFXZAJHTFCF-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