General Information of the Compound
| Compound ID |
CP0486608
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| Compound Name |
(5R)-5-[[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)pyridin-4-yl]-1,3,4-thiadiazol-2-yl]phenoxy]methyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C22H23ClFN5O2S
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| Molecular Weight |
475.977
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| Canonical SMILES |
CC(C)Nc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H]2CCC(=O)N2)cc1Cl
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| InChI |
InChI=1S/C22H23ClFN5O2S/c1-11(2)25-19-7-13(6-12(3)26-19)21-28-29-22(32-21)15-8-17(24)18(9-16(15)23)31-10-14-4-5-20(30)27-14/h6-9,11,14H,4-5,10H2,1-3H3,(H,25,26)(H,27,30)/t14-/m1/s1
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| InChIKey |
LGODQJDLYGIZAT-CQSZACIVSA-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