General Information of the Compound
| Compound ID |
CP0553305
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| Compound Name |
4-(4-fluorophenyl)-2-[(2Z)-2-[2,2,2-trifluoro-1-[6-fluoro-2-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-indol-3-yl]ethylidene]hydrazinyl]-1,3-thiazole-5-carbonitrile
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| Formula |
C31H28F5N7OS
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| Molecular Weight |
641.67
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| Canonical SMILES |
Cc1[nH]c2cc(F)c(cc2c1\C(=N\Nc1nc(c(s1)C#N)-c1ccc(F)cc1)C(F)(F)F)N1CCC(CC1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C31H28F5N7OS/c1-17-26(28(31(34,35)36)40-41-30-39-27(25(16-37)45-30)18-4-6-20(32)7-5-18)21-14-24(22(33)15-23(21)38-17)42-12-8-19(9-13-42)29(44)43-10-2-3-11-43/h4-7,14-15,19,38H,2-3,8-13H2,1H3,(H,39,41)/b40-28-
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| InChIKey |
IDYWVCXRCNJYKR-VDMDNSBISA-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