General Information of the Compound
| Compound ID |
CP0381491
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| Compound Name |
4-amino-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C22H27Cl2N3O4
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| Molecular Weight |
468.381
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| Canonical SMILES |
COc1cc(ccc1N)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H27Cl2N3O4/c1-30-21-10-14(2-5-20(21)25)22(29)26-12-15(28)13-27-8-6-16(7-9-27)31-17-3-4-18(23)19(24)11-17/h2-5,10-11,15-16,28H,6-9,12-13,25H2,1H3,(H,26,29)/t15-/m1/s1
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| InChIKey |
GPRHHSZIXIDKDN-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2