General Information of the Compound
| Compound ID |
CP0908965
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| Compound Name |
((S)-7-(Benzo[d]thiazol-2-yl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)((S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C24H21F3N6O2S
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| Molecular Weight |
514.533
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| Canonical SMILES |
CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2nc3ccccc3s2)n2nc(C(F)(F)F)cc2N1
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| InChI |
InChI=1S/C24H21F3N6O2S/c1-12-10-16(35-31-12)15-7-5-9-32(15)23(34)20-13(2)28-19-11-18(24(25,26)27)30-33(19)21(20)22-29-14-6-3-4-8-17(14)36-22/h3-4,6,8,10-11,15,21,28H,5,7,9H2,1-2H3/t15-,21-/m0/s1
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| InChIKey |
YPMSRRZNQUYLOP-BTYIYWSLSA-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