General Information of the Compound
| Compound ID |
CP0506534
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| Compound Name |
S-[2-(2-chloro-4-cyanoanilino)-2-oxoethyl] 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbothioate
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| Structure |
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| Formula |
C19H14Cl3N3O2S
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| Molecular Weight |
454.766
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| Canonical SMILES |
Clc1cc(Cl)c2N(CCCc2c1)C(=O)SCC(=O)Nc1ccc(cc1Cl)C#N
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| InChI |
InChI=1S/C19H14Cl3N3O2S/c20-13-7-12-2-1-5-25(18(12)15(22)8-13)19(27)28-10-17(26)24-16-4-3-11(9-23)6-14(16)21/h3-4,6-8H,1-2,5,10H2,(H,24,26)
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| InChIKey |
YPGBGYIRJKQKPA-UHFFFAOYSA-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