General Information of the Compound
| Compound ID |
CP0024531
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| Compound Name |
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[3-[[(E)-5-(dimethylamino)pent-2-enoyl]amino]phenyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C31H34Cl2F3N7O5
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| Molecular Weight |
712.557
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| Canonical SMILES |
OC(=O)C(F)(F)F.CN(C)CC\C=C\C(=O)Nc1cccc(c1)N1CCC(CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H33Cl2N7O3.C2HF3O2/c1-37(2)14-4-3-11-25(39)33-20-7-5-8-21(17-20)38-15-12-19(13-16-38)34-29(41)27-24(18-32-36-27)35-28(40)26-22(30)9-6-10-23(26)31;3-2(4,5)1(6)7/h3,5-11,17-19H,4,12-16H2,1-2H3,(H,32,36)(H,33,39)(H,34,41)(H,35,40);(H,6,7)/b11-3+;
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| InChIKey |
OBLJDNHCDABTPO-KODGKZAJSA-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