General Information of the Compound
| Compound ID |
CP0870552
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| Compound Name |
1-(4-amino-2,6-diisopropylphenyl)-3-((4-(3-methoxyphenyl)-1-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-4-yl)methyl)urea dihydrochloride
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| Structure |
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| Formula |
C34H45Cl2F3N4O3
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| Molecular Weight |
685.659
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| Canonical SMILES |
COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3ccccc3OCC(F)(F)F)CC2)c1.Cl.Cl
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| InChI |
InChI=1S/C34H43F3N4O3.2ClH/c1-22(2)27-18-25(38)19-28(23(3)4)31(27)40-32(42)39-20-33(24-9-8-10-26(17-24)43-5)13-15-41(16-14-33)29-11-6-7-12-30(29)44-21-34(35,36)37;;/h6-12,17-19,22-23H,13-16,20-21,38H2,1-5H3,(H2,39,40,42);2*1H
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| InChIKey |
PHVSUNVVMCVENR-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