General Information of the Compound
| Compound ID |
CP0436860
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| Compound Name |
disodium;[[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]amino]methyl phosphate
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| Structure |
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| Formula |
C23H20F6N5Na2O6PS
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| Molecular Weight |
685.451
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| Canonical SMILES |
[Na+].[Na+].C[C@H]1[C@H](F)C[C@@H](N(COP([O-])([O-])=O)Cc2cc(ncc2F)-c2cnc(nc2)C(F)(F)F)N1S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H22F6N5O6PS.2Na/c1-13-18(25)7-21(34(13)42(38,39)17-4-2-16(24)3-5-17)33(12-40-41(35,36)37)11-14-6-20(30-10-19(14)26)15-8-31-22(32-9-15)23(27,28)29;;/h2-6,8-10,13,18,21H,7,11-12H2,1H3,(H2,35,36,37);;/q;2*+1/p-2/t13-,18+,21-;;/m0../s1
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| InChIKey |
OZLXXKABTGFELC-IFUMFIRSSA-L
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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