General Information of the Compound
| Compound ID |
CP0032508
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| Compound Name |
N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C30H33F3N6O10S
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| Molecular Weight |
726.687
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| Canonical SMILES |
OC(=O)C(F)(F)F.COc1cc(OC)c(C(=O)Nc2c[nH]nc2C(=O)NC2CCN(CC2)S(=O)(=O)c2cccc(NC(=O)C=C)c2)c(OC)c1
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| InChI |
InChI=1S/C28H32N6O8S.C2HF3O2/c1-5-24(35)30-18-7-6-8-20(13-18)43(38,39)34-11-9-17(10-12-34)31-28(37)26-21(16-29-33-26)32-27(36)25-22(41-3)14-19(40-2)15-23(25)42-4;3-2(4,5)1(6)7/h5-8,13-17H,1,9-12H2,2-4H3,(H,29,33)(H,30,35)(H,31,37)(H,32,36);(H,6,7)
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| InChIKey |
NAJGJFMDFKHOQE-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