General Information of the Compound
| Compound ID |
CP0485530
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| Compound Name |
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-pyrrol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccc2)c2ccccc2O1
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| InChI |
InChI=1S/C26H29N3O3/c30-23-9-3-1-7-21(23)27-26(31)25-18-29(22-8-2-4-10-24(22)32-25)17-19-11-13-20(14-12-19)28-15-5-6-16-28/h2,4-6,8,10-16,21,23,25,30H,1,3,7,9,17-18H2,(H,27,31)/t21-,23-,25?/m0/s1
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| InChIKey |
KAJCCTGRDKNSOB-SJCMYZFZSA-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