General Information of the Compound
| Compound ID |
CP0355612
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| Compound Name |
2-[2-[[(S)-(3-chloro-2-fluorophenyl)-pyridin-2-ylmethyl]amino]-5-methylsulfonylanilino]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C24H20ClFN6O3S
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| Molecular Weight |
526.981
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N[C@H](c2ccccn2)c2cccc(Cl)c2F)c(Nc2nccc(n2)C(N)=O)c1
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| InChI |
InChI=1S/C24H20ClFN6O3S/c1-36(34,35)14-8-9-17(20(13-14)32-24-29-12-10-19(31-24)23(27)33)30-22(18-7-2-3-11-28-18)15-5-4-6-16(25)21(15)26/h2-13,22,30H,1H3,(H2,27,33)(H,29,31,32)/t22-/m0/s1
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| InChIKey |
KYDPLBKTMICGNE-QFIPXVFZSA-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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