General Information of the Compound
| Compound ID |
CP0389714
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| Compound Name |
1-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(3-chlorophenyl)urea
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| Structure |
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| Formula |
C18H19Cl2N3O3S
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| Molecular Weight |
428.341
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| Canonical SMILES |
Clc1cccc(NC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)c1
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| InChI |
InChI=1S/C18H19Cl2N3O3S/c19-13-5-4-6-14(11-13)21-18(24)22-17-12-15(7-8-16(17)20)27(25,26)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H2,21,22,24)
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| InChIKey |
NETNWPQYEFZBEX-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06172, Mothers against decapentaplegic homolog 3