General Information of the Compound
| Compound ID |
CP0390378
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| Compound Name |
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]-3H-1,4-benzoxazine-2-carboxamide
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
CC1(CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1)C(=O)N[C@H]1CCCC[C@@H]1O
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| InChI |
InChI=1S/C26H30N4O3/c1-26(25(32)28-21-7-2-4-9-23(21)31)18-29(22-8-3-5-10-24(22)33-26)17-19-11-13-20(14-12-19)30-16-6-15-27-30/h3,5-6,8,10-16,21,23,31H,2,4,7,9,17-18H2,1H3,(H,28,32)/t21-,23-,26?/m0/s1
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| InChIKey |
RGAAIXISKHZQJK-OYICLKKBSA-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