General Information of the Compound
| Compound ID |
CP0939742
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| Compound Name |
1-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-4-(4-(methylsulfonyl)benzoyl)piperazin-2-one formic acid
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| Structure |
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| Formula |
C28H35N3O7S
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| Molecular Weight |
557.669
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| Canonical SMILES |
CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)C(=O)C2)cc1.O=CO
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| InChI |
InChI=1S/C27H33N3O5S.CH2O2/c1-36(33,34)25-11-5-20(6-12-25)27(32)29-17-18-30(26(31)19-29)22-7-9-23(10-8-22)35-24-13-15-28(16-14-24)21-3-2-4-21;2-1-3/h5-12,21,24H,2-4,13-19H2,1H3;1H,(H,2,3)
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| InChIKey |
AFNIUHMJOXEVTF-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2