General Information of the Compound
| Compound ID |
CP0918842
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| Compound Name |
4-(2-(1-(1-(3,4-dimethylphenyl)-5-fluoro-2-oxoindolin-3-ylidene)ethyl)hydrazinecarbonothioyl)benzoic acid
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| Formula |
C26H22FN3O3S
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| Molecular Weight |
475.545
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| Canonical SMILES |
C/C(NNC(=S)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccc(F)cc21
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| InChI |
InChI=1S/C26H22FN3O3S/c1-14-4-10-20(12-15(14)2)30-22-11-9-19(27)13-21(22)23(25(30)31)16(3)28-29-24(34)17-5-7-18(8-6-17)26(32)33/h4-13,28H,1-3H3,(H,29,34)(H,32,33)/b23-16-
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| InChIKey |
JVSJSQVZRRLKEV-KQWNVCNZSA-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