General Information of the Compound
| Compound ID |
CP0444263
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| Compound Name |
1-(4-chlorophenyl)-3-[3-[(2-chlorophenyl)sulfamoyl]-4-(1-pyrrolidinyl)phenyl]urea
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| Structure |
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| Formula |
C23H22Cl2N4O3S
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| Molecular Weight |
505.427
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(c2)S(=O)(=O)Nc2ccccc2Cl)cc1
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| InChI |
InChI=1S/C23H22Cl2N4O3S/c24-16-7-9-17(10-8-16)26-23(30)27-18-11-12-21(29-13-3-4-14-29)22(15-18)33(31,32)28-20-6-2-1-5-19(20)25/h1-2,5-12,15,28H,3-4,13-14H2,(H2,26,27,30)
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| InChIKey |
JTMQGPLGCCHGPD-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: PT06124, Paired box protein Pax-8