General Information of the Compound
| Compound ID |
CP0905102
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| Compound Name |
4-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-2-oxoindolin-3-ylidene)ethyl)hydrazinecarbonothioyl)benzoic acid
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| Formula |
C27H23N3O3S
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| Molecular Weight |
469.566
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| Canonical SMILES |
C/C(NNC(=S)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccc3c(c2)CCC3)c2ccccc21
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| InChI |
InChI=1S/C27H23N3O3S/c1-16(28-29-25(34)18-9-11-19(12-10-18)27(32)33)24-22-7-2-3-8-23(22)30(26(24)31)21-14-13-17-5-4-6-20(17)15-21/h2-3,7-15,28H,4-6H2,1H3,(H,29,34)(H,32,33)/b24-16-
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| InChIKey |
FNCHCRHTQRNBTI-JLPGSUDCSA-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