General Information of the Compound
| Compound ID |
CP0884558
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| Compound Name |
((S)-5-Methyl-7-(1-methyl-1H-indol-2-yl)-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 |
C26H25F3N6O2
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| Molecular Weight |
510.52
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| Canonical SMILES |
CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2cc3ccccc3n2C)n2nc(C(F)(F)F)cc2N1
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| InChI |
InChI=1S/C26H25F3N6O2/c1-14-11-20(37-32-14)18-9-6-10-34(18)25(36)23-15(2)30-22-13-21(26(27,28)29)31-35(22)24(23)19-12-16-7-4-5-8-17(16)33(19)3/h4-5,7-8,11-13,18,24,30H,6,9-10H2,1-3H3/t18-,24+/m0/s1
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| InChIKey |
ORSNFSUPTFRXSP-MHECFPHRSA-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