General Information of the Compound
| Compound ID |
CP0940586
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| Compound Name |
1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)hydrazinecarbonothioyl)-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
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| Formula |
C25H27N5O3S
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| Molecular Weight |
477.59
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| Canonical SMILES |
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C(/C)NNC(=S)N1CCCc2cc(C(=O)O)ccc21
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| InChI |
InChI=1S/C25H27N5O3S/c1-14-7-9-20(12-15(14)2)30-23(31)22(17(4)28-30)16(3)26-27-25(34)29-11-5-6-18-13-19(24(32)33)8-10-21(18)29/h7-10,12-13,26H,5-6,11H2,1-4H3,(H,27,34)(H,32,33)/b22-16-
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| InChIKey |
VSVPLICYROLNNW-JWGURIENSA-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