General Information of the Compound
| Compound ID |
CP0546302
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| Compound Name |
6-(1-ethylpyrazol-4-yl)-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C24H27F3N6O2
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| Molecular Weight |
488.514
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| Canonical SMILES |
CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O
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| InChI |
InChI=1S/C24H27F3N6O2/c1-4-33-13-15(11-29-33)18-6-5-7-19(30-18)22(34)31-20-10-17(12-28-21(20)24(25,26)27)32-9-8-16(14-32)23(2,3)35/h5-7,10-13,16,35H,4,8-9,14H2,1-3H3,(H,31,34)/t16-/m1/s1
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| InChIKey |
ONZFJXAFBPQUIU-MRXNPFEDSA-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