General Information of the Compound
| Compound ID |
CP0425161
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| Compound Name |
1-[(3R)-3-[[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)pyridin-4-yl]-1,3,4-thiadiazol-2-yl]phenoxy]methyl]morpholin-4-yl]ethanone
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| Structure |
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| Formula |
C24H27ClFN5O3S
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| Molecular Weight |
520.03
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| Canonical SMILES |
CC(C)Nc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H]2COCCN2C(C)=O)cc1Cl
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| InChI |
InChI=1S/C24H27ClFN5O3S/c1-13(2)27-22-8-16(7-14(3)28-22)23-29-30-24(35-23)18-9-20(26)21(10-19(18)25)34-12-17-11-33-6-5-31(17)15(4)32/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,27,28)/t17-/m1/s1
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| InChIKey |
HQXWMQPHFAEFTF-QGZVFWFLSA-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