General Information of the Compound
| Compound ID |
CP0414788
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| Compound Name |
N-[3-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropyl]-2-methylsulfonylbenzamide
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| Structure |
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| Formula |
C23H29Cl2N3O4S
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| Molecular Weight |
514.475
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| Canonical SMILES |
CS(=O)(=O)c1ccccc1C(=O)NCC(O)CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C23H29Cl2N3O4S/c1-33(31,32)22-5-3-2-4-19(22)23(30)27-14-18(29)13-26-17-8-10-28(11-9-17)15-16-6-7-20(24)21(25)12-16/h2-7,12,17-18,26,29H,8-11,13-15H2,1H3,(H,27,30)
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| InChIKey |
KXSMUDWNWWFRRE-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor