General Information of the Compound
| Compound ID |
CP0029567
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| Compound Name |
4-[(2-chloro-6-methoxybenzoyl)amino]-N-[1-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C31H35ClF3N7O8S
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| Molecular Weight |
758.176
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| Canonical SMILES |
OC(=O)C(F)(F)F.COc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)\C=C\CN(C)C)c1
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| InChI |
InChI=1S/C29H34ClN7O6S.C2HF3O2/c1-36(2)14-6-11-25(38)32-20-7-4-8-21(17-20)44(41,42)37-15-12-19(13-16-37)33-29(40)27-23(18-31-35-27)34-28(39)26-22(30)9-5-10-24(26)43-3;3-2(4,5)1(6)7/h4-11,17-19H,12-16H2,1-3H3,(H,31,35)(H,32,38)(H,33,40)(H,34,39);(H,6,7)/b11-6+;
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| InChIKey |
RQHCRIOCTYKNMG-ICSBZGNSSA-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