General Information of the Compound
| Compound ID |
CP0318784
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| Compound Name |
3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]propanamide
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| Structure |
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| Formula |
C25H29F4N3O
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| Molecular Weight |
463.519
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| Canonical SMILES |
CC(C)C[C@@H](c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)CNC(=O)CC(F)(F)F
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| InChI |
InChI=1S/C25H29F4N3O/c1-16(2)11-21(24(3,4)15-30-23(33)13-25(27,28)29)17-5-10-22-18(12-17)14-31-32(22)20-8-6-19(26)7-9-20/h5-10,12,14,16,21H,11,13,15H2,1-4H3,(H,30,33)/t21-/m0/s1
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| InChIKey |
AQINTCRDTNJHQD-NRFANRHFSA-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