General Information of the Compound
| Compound ID |
CP0375796
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| Compound Name |
1-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-1-hydroxy-3-methylthiourea
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| Structure |
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| Formula |
C20H20ClN3O3S
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| Molecular Weight |
417.918
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| Canonical SMILES |
CNC(=S)N(O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
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| InChI |
InChI=1S/C20H20ClN3O3S/c1-12-17(11-23(26)20(28)22-2)16-10-15(27-3)8-9-18(16)24(12)19(25)13-4-6-14(21)7-5-13/h4-10,26H,11H2,1-3H3,(H,22,28)
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| InChIKey |
ZKSQQECUHNGXJG-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