General Information of the Compound
| Compound ID |
CP0497151
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| Compound Name |
1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
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| Structure |
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| Formula |
C23H29F4N3O
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| Molecular Weight |
439.497
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cc(ccc1F)C(F)(F)F)=CC2
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| InChI |
InChI=1S/C23H29F4N3O/c1-22(2)15-4-3-14(18(22)11-15)13-30-9-7-17(8-10-30)28-21(31)29-20-12-16(23(25,26)27)5-6-19(20)24/h3,5-6,12,15,17-18H,4,7-11,13H2,1-2H3,(H2,28,29,31)/t15-,18-/m0/s1
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| InChIKey |
ZSRCUUFHASKDTD-YJBOKZPZSA-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