General Information of the Compound
| Compound ID |
CP0557851
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| Compound Name |
2-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-2-yl]oxyethyl dihydrogen phosphate
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| Structure |
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| Formula |
C27H31F2N4O7P
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| Molecular Weight |
592.536
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(cc(OCCOP(O)(O)=O)n1)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C
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| InChI |
InChI=1S/C27H31F2N4O7P/c1-17-4-5-21(31-26(34)19-6-7-30-23(12-19)27(3,28)29)15-22(17)20-13-24(33-8-9-38-16-18(33)2)32-25(14-20)39-10-11-40-41(35,36)37/h4-7,12-15,18H,8-11,16H2,1-3H3,(H,31,34)(H2,35,36,37)/t18-/m1/s1
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| InChIKey |
HEMZLLXLZPLKRJ-GOSISDBHSA-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