General Information of the Compound
| Compound ID |
CP0466185
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| Compound Name |
3,5-dichloro-N-(3-(4-(2-(4-(trifluoromethyl)phenyl)benzo[d][1,3]dioxol-2-yl)piperidin-1-yl)butyl)isonicotinamide
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| Structure |
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| Formula |
C29H28Cl2F3N3O3
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| Molecular Weight |
594.461
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C1(Oc2ccccc2O1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H28Cl2F3N3O3/c1-18(10-13-36-27(38)26-22(30)16-35-17-23(26)31)37-14-11-20(12-15-37)28(39-24-4-2-3-5-25(24)40-28)19-6-8-21(9-7-19)29(32,33)34/h2-9,16-18,20H,10-15H2,1H3,(H,36,38)
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| InChIKey |
VXCFNXWSONWJOA-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