General Information of the Compound
| Compound ID |
CP0527996
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| Compound Name |
2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C17H16F2N4O2S
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| Molecular Weight |
378.404
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| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C17H16F2N4O2S/c1-9(7-24)20-15-11-5-6-13(25)21-16(11)23-17(22-15)26-8-10-3-2-4-12(18)14(10)19/h2-6,9,24H,7-8H2,1H3,(H2,20,21,22,23,25)/t9-/m1/s1
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| InChIKey |
VEDVRGDEFIRTMR-SECBINFHSA-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