General Information of the Compound
| Compound ID |
CP0687518
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| Compound Name |
((S)-5-(Methoxymethyl)-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 |
C27H27F3N6O3
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| Molecular Weight |
540.546
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| Canonical SMILES |
COCC1=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/C27H27F3N6O3/c1-15-11-21(39-33-15)19-9-6-10-35(19)26(37)24-17(14-38-3)31-23-13-22(27(28,29)30)32-36(23)25(24)20-12-16-7-4-5-8-18(16)34(20)2/h4-5,7-8,11-13,19,25,31H,6,9-10,14H2,1-3H3/t19-,25+/m0/s1
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| InChIKey |
MHQFMMJRYPCUAC-UQBPGWFLSA-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
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2