General Information of the Compound
| Compound ID |
CP0915880
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| Compound Name |
1-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-4-(3,5-difluorobenzoyl)piperazin-2-one formic acid
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| Structure |
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| Formula |
C27H31F2N3O5
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| Molecular Weight |
515.557
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| Canonical SMILES |
O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1.O=CO
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| InChI |
InChI=1S/C26H29F2N3O3.CH2O2/c27-19-14-18(15-20(28)16-19)26(33)30-12-13-31(25(32)17-30)22-4-6-23(7-5-22)34-24-8-10-29(11-9-24)21-2-1-3-21;2-1-3/h4-7,14-16,21,24H,1-3,8-13,17H2;1H,(H,2,3)
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| InChIKey |
HTCLEEXSMMUUES-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2