General Information of the Compound
| Compound ID |
CP0845125
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| Compound Name |
4-(4-chlorobenzoyl)-1-(4-(1-isopropylpiperidin-4-yloxy)phenyl)piperazin-2-one hydrochloride
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| Structure |
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| Formula |
C25H31Cl2N3O3
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| Molecular Weight |
492.447
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| Canonical SMILES |
CC(C)N1CCC(Oc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3=O)cc2)CC1.Cl
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| InChI |
InChI=1S/C25H30ClN3O3.ClH/c1-18(2)27-13-11-23(12-14-27)32-22-9-7-21(8-10-22)29-16-15-28(17-24(29)30)25(31)19-3-5-20(26)6-4-19;/h3-10,18,23H,11-17H2,1-2H3;1H
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| InChIKey |
MNOZJGDIRIYZSQ-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor