General Information of the Compound
| Compound ID |
CP0354956
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| Compound Name |
[1-phenyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C28H31F3N4O
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| Molecular Weight |
496.577
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| Canonical SMILES |
FC(F)(F)c1ccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
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| InChI |
InChI=1S/C28H31F3N4O/c29-28(30,31)21-11-9-20(10-12-21)15-16-32-22-13-14-25-24(19-22)26(27(36)34-17-5-2-6-18-34)33-35(25)23-7-3-1-4-8-23/h1,3-4,7-12,22,32H,2,5-6,13-19H2
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| InChIKey |
ZYAKNHQYFXTTHK-UHFFFAOYSA-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