General Information of the Compound
| Compound ID |
CP0513823
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| Compound Name |
1-(5-chloro-1,3-thiazol-2-yl)-3-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
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| Structure |
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| Formula |
C15H13ClF2N4O3S
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| Molecular Weight |
402.81
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| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ncc(Cl)s2)c(F)c1
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| InChI |
InChI=1S/C15H13ClF2N4O3S/c1-25-6-2-8(17)11(9(18)3-6)7-4-19-13(23)12(7)21-14(24)22-15-20-5-10(16)26-15/h2-3,5,7,12H,4H2,1H3,(H,19,23)(H2,20,21,22,24)/t7-,12-/m0/s1
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| InChIKey |
DZLFBFSPOSARNT-MADCSZMMSA-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