General Information of the Compound
| Compound ID |
CP0890147
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| Compound Name |
1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)hydrazinecarbonothioyl)-N-ethylindoline-5-carboxamide
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| Formula |
C26H30N6O2S
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| Molecular Weight |
490.633
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| Canonical SMILES |
CCNC(=O)c1ccc2c(c1)CCN2C(=S)NN/C(C)=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C
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| InChI |
InChI=1S/C26H30N6O2S/c1-6-27-24(33)20-8-10-22-19(14-20)11-12-31(22)26(35)29-28-17(4)23-18(5)30-32(25(23)34)21-9-7-15(2)16(3)13-21/h7-10,13-14,28H,6,11-12H2,1-5H3,(H,27,33)(H,29,35)/b23-17-
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| InChIKey |
PUEZQFVXWUGNLH-QJOMJCCJSA-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