General Information of the Compound
| Compound ID |
CP0567241
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| Compound Name |
4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl 11-aminoundecanoate;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C39H48Cl2F3N5O5
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| Molecular Weight |
794.743
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| Canonical SMILES |
OC(=O)C(F)(F)F.Cc1c(nn(c1-c1ccc(cc1)C#CCCOC(=O)CCCCCCCCCCN)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C37H47Cl2N5O3.C2HF3O2/c1-28-35(37(46)42-43-24-12-8-13-25-43)41-44(33-22-21-31(38)27-32(33)39)36(28)30-19-17-29(18-20-30)15-10-14-26-47-34(45)16-9-6-4-2-3-5-7-11-23-40;3-2(4,5)1(6)7/h17-22,27H,2-9,11-14,16,23-26,40H2,1H3,(H,42,46);(H,6,7)
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| InChIKey |
VWVBVJPGMORUOH-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