General Information of the Compound
| Compound ID |
CP0561710
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| Compound Name |
4-(4-chlorophenyl)-2-[(2Z)-2-[2,2,2-trifluoro-1-[1-methyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]ethylidene]hydrazinyl]-1,3-thiazole-5-carbonitrile
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| Formula |
C29H23ClF3N7OS2
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| Molecular Weight |
642.132
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| Canonical SMILES |
Cn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(Cl)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCOCC2)cs1
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| InChI |
InChI=1S/C29H23ClF3N7OS2/c1-39-15-22(21-12-18(4-7-23(21)39)27-35-20(16-42-27)14-40-8-10-41-11-9-40)26(29(31,32)33)37-38-28-36-25(24(13-34)43-28)17-2-5-19(30)6-3-17/h2-7,12,15-16H,8-11,14H2,1H3,(H,36,38)/b37-26-
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| InChIKey |
TZRVWNPJHRZYJG-UOZKZNBHSA-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