General Information of the Compound
| Compound ID |
CP0451113
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| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] 3-(methylcarbamoyl)benzenesulfonate
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| Structure |
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| Formula |
C30H26ClF3N4O5S
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| Molecular Weight |
647.075
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| Canonical SMILES |
CNC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1cncn1C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H26ClF3N4O5S/c1-35-28(39)20-3-2-4-24(15-20)44(41,42)43-23-8-5-19(6-9-23)27-17-36-18-38(27)22-11-13-37(14-12-22)29(40)21-7-10-26(31)25(16-21)30(32,33)34/h2-10,15-18,22H,11-14H2,1H3,(H,35,39)
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| InChIKey |
RMYRVUMHZYVTCO-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