General Information of the Compound
| Compound ID |
CP0860208
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| Compound Name |
1-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)hydrazinecarbonothioyl)-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
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| Formula |
C26H27N5O3S
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| Molecular Weight |
489.601
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| Canonical SMILES |
CC1=NN(c2ccc3c(c2)CCC3)C(=O)/C1=C(/C)NNC(=S)N1CCCc2cc(C(=O)O)ccc21
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| InChI |
InChI=1S/C26H27N5O3S/c1-15(23-16(2)29-31(24(23)32)21-10-8-17-5-3-6-18(17)14-21)27-28-26(35)30-12-4-7-19-13-20(25(33)34)9-11-22(19)30/h8-11,13-14,27H,3-7,12H2,1-2H3,(H,28,35)(H,33,34)/b23-15-
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| InChIKey |
NXQDHHINNZIVQT-HAHDFKILSA-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