General Information of the Compound
| Compound ID |
CP0488969
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| Compound Name |
6-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
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| Structure |
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| Formula |
C25H27ClN4O3
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| Molecular Weight |
466.969
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2cc(Cl)ccc2O1
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| InChI |
InChI=1S/C25H27ClN4O3/c26-18-8-11-23-21(14-18)29(15-17-6-9-19(10-7-17)30-13-3-12-27-30)16-24(33-23)25(32)28-20-4-1-2-5-22(20)31/h3,6-14,20,22,24,31H,1-2,4-5,15-16H2,(H,28,32)/t20-,22-,24?/m0/s1
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| InChIKey |
NAONRRZGNCDMJJ-RJHJHSSFSA-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