General Information of the Compound
| Compound ID |
CP0412004
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| Compound Name |
1-[(3R,5S)-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
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| Structure |
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| Formula |
C22H23F3N4O
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| Molecular Weight |
416.447
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| Canonical SMILES |
C[C@@H]1C[C@H](CN(C1)C(=O)CCn1cccn1)c1ccc(c2ncccc12)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N4O/c1-15-12-16(14-28(13-15)20(30)7-11-29-10-3-9-27-29)17-5-6-19(22(23,24)25)21-18(17)4-2-8-26-21/h2-6,8-10,15-16H,7,11-14H2,1H3/t15-,16-/m1/s1
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| InChIKey |
KEVRYSLPYCNVMJ-HZPDHXFCSA-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