General Information of the Compound
| Compound ID |
CP0034077
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| Compound Name |
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[3-(prop-2-enoylamino)benzoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C28H25Cl2F3N6O6
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| Molecular Weight |
669.444
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| Canonical SMILES |
OC(=O)C(F)(F)F.Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)C(=O)c1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C26H24Cl2N6O4.C2HF3O2/c1-2-21(35)30-17-6-3-5-15(13-17)26(38)34-11-9-16(10-12-34)31-25(37)23-20(14-29-33-23)32-24(36)22-18(27)7-4-8-19(22)28;3-2(4,5)1(6)7/h2-8,13-14,16H,1,9-12H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36);(H,6,7)
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| InChIKey |
XKBFRDLYPKVXJU-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