General Information of the Compound
| Compound ID |
CP0381478
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| Compound Name |
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2-methylsulfonylbenzamide
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| Structure |
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| Formula |
C22H26Cl2N2O5S
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| Molecular Weight |
501.432
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| Canonical SMILES |
CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H26Cl2N2O5S/c1-32(29,30)21-5-3-2-4-18(21)22(28)25-13-15(27)14-26-10-8-16(9-11-26)31-17-6-7-19(23)20(24)12-17/h2-7,12,15-16,27H,8-11,13-14H2,1H3,(H,25,28)/t15-/m1/s1
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| InChIKey |
JMGBVGDZPLNFAE-OAHLLOKOSA-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor