General Information of the Compound
| Compound ID |
CP0877493
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| Compound Name |
((R)-7-(3,4-Dichlorophenyl)-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 |
C23H20Cl2F3N5O2
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| Molecular Weight |
526.346
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| Canonical SMILES |
CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
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| InChI |
InChI=1S/C23H20Cl2F3N5O2/c1-11-8-17(35-31-11)16-4-3-7-32(16)22(34)20-12(2)29-19-10-18(23(26,27)28)30-33(19)21(20)13-5-6-14(24)15(25)9-13/h5-6,8-10,16,21,29H,3-4,7H2,1-2H3/t16-,21+/m0/s1
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| InChIKey |
QVQDXVKKDLSNFR-HRAATJIYSA-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