General Information of the Compound
| Compound ID |
CP0940585
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| Compound Name |
1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)hydrazinecarbonothioyl)indoline-5-carboxylic acid
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| Formula |
C24H25N5O3S
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| Molecular Weight |
463.563
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| Canonical SMILES |
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C(/C)NNC(=S)N1CCc2cc(C(=O)O)ccc21
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| InChI |
InChI=1S/C24H25N5O3S/c1-13-5-7-19(11-14(13)2)29-22(30)21(16(4)27-29)15(3)25-26-24(33)28-10-9-17-12-18(23(31)32)6-8-20(17)28/h5-8,11-12,25H,9-10H2,1-4H3,(H,26,33)(H,31,32)/b21-15-
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| InChIKey |
YMJFWAZRZUTXJC-QNGOZBTKSA-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