General Information of the Compound
| Compound ID |
CP0412877
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| Compound Name |
(2S)-1-(1,3-benzothiazol-6-yloxy)-3-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]propan-2-ol
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| Structure |
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| Formula |
C22H25Cl2N3O2S
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| Molecular Weight |
466.434
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| Canonical SMILES |
O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1ccc2ncsc2c1
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| InChI |
InChI=1S/C22H25Cl2N3O2S/c23-19-3-1-15(9-20(19)24)12-27-7-5-16(6-8-27)25-11-17(28)13-29-18-2-4-21-22(10-18)30-14-26-21/h1-4,9-10,14,16-17,25,28H,5-8,11-13H2/t17-/m0/s1
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| InChIKey |
MNXRFTOYSSFEST-KRWDZBQOSA-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