General Information of the Compound
| Compound ID |
CP0419295
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| Compound Name |
1-(cyclopropylmethyl)-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C19H20F3N7O2
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| Molecular Weight |
435.41
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| Canonical SMILES |
COc1nn(CC2CC2)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F
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| InChI |
InChI=1S/C19H20F3N7O2/c1-11(19(20,21)22)29-10-23-26-16(29)14-4-3-5-15(24-14)25-17(30)13-9-28(8-12-6-7-12)27-18(13)31-2/h3-5,9-12H,6-8H2,1-2H3,(H,24,25,30)/t11-/m0/s1
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| InChIKey |
QNDIVRSVHDQEKL-NSHDSACASA-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