General Information of the Compound
| Compound ID |
CP0845124
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| Compound Name |
4-(1-(4-(1-isopropylpiperidin-4-yloxy)phenyl)-2-oxopiperazine-4-carbonyl)benzonitrile formic acid
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| Structure |
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| Formula |
C27H32N4O5
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| Molecular Weight |
492.576
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| Canonical SMILES |
CC(C)N1CCC(Oc2ccc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3=O)cc2)CC1.O=CO
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| InChI |
InChI=1S/C26H30N4O3.CH2O2/c1-19(2)28-13-11-24(12-14-28)33-23-9-7-22(8-10-23)30-16-15-29(18-25(30)31)26(32)21-5-3-20(17-27)4-6-21;2-1-3/h3-10,19,24H,11-16,18H2,1-2H3;1H,(H,2,3)
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| InChIKey |
HLBPILNTTPELKS-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