General Information of the Compound
| Compound ID |
CP0404432
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| Compound Name |
1-[1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethyl]-1-hydroxy-3-methylthiourea
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| Structure |
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| Formula |
C21H22ClN3O3S
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| Molecular Weight |
431.945
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| Canonical SMILES |
CNC(=S)N(O)C(C)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
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| InChI |
InChI=1S/C21H22ClN3O3S/c1-12-19(13(2)25(27)21(29)23-3)17-11-16(28-4)9-10-18(17)24(12)20(26)14-5-7-15(22)8-6-14/h5-11,13,27H,1-4H3,(H,23,29)
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| InChIKey |
TXKWHLUEDIEYKP-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