General Information of the Compound
| Compound ID |
CP0554806
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| Compound Name |
(3R)-1-[6-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridin-2-yl]pyrrolidin-3-ol
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| Structure |
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| Formula |
C18H17F3N4O
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| Molecular Weight |
362.355
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| Canonical SMILES |
Cc1nc(ccc1-c1cc(cc2[nH]ncc12)C(F)(F)F)N1CC[C@@H](O)C1
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| InChI |
InChI=1S/C18H17F3N4O/c1-10-13(2-3-17(23-10)25-5-4-12(26)9-25)14-6-11(18(19,20)21)7-16-15(14)8-22-24-16/h2-3,6-8,12,26H,4-5,9H2,1H3,(H,22,24)/t12-/m1/s1
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| InChIKey |
PWRMQUDNGXLDFA-GFCCVEGCSA-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