General Information of the Compound
| Compound ID |
CP0499271
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| Compound Name |
4-[3-(3,5-Dichloro-phenyl)-ureidomethyl]-4-(4-pyridin-3-yl-phenyl)-piperidine-1-sulfonic acid dimethylamide
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| Structure |
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| Formula |
C26H29Cl2N5O3S
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| Molecular Weight |
562.523
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| Canonical SMILES |
CN(C)S(=O)(=O)N1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C26H29Cl2N5O3S/c1-32(2)37(35,36)33-12-9-26(10-13-33,18-30-25(34)31-24-15-22(27)14-23(28)16-24)21-7-5-19(6-8-21)20-4-3-11-29-17-20/h3-8,11,14-17H,9-10,12-13,18H2,1-2H3,(H2,30,31,34)
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| InChIKey |
FJQGALHNNHKRNF-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