General Information of the Compound
| Compound ID |
CP0093214
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| Compound Name |
2-(3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzamido)ethyl dihydrogen phosphate
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| Structure |
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| Formula |
C30H30Cl2F3N4O7P
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| Molecular Weight |
717.465
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C30H30Cl2F3N4O7P/c1-17(2)27-20(26(38-46-27)25-21(31)8-5-9-22(25)32)16-44-24-11-10-23(28(37-24)30(33,34)35)39(3)15-18-6-4-7-19(14-18)29(40)36-12-13-45-47(41,42)43/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,36,40)(H2,41,42,43)
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| InChIKey |
MOHAQKYPACPOPP-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