General Information of the Compound
| Compound ID |
CP0857737
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| Compound Name |
N-(3-(1-(4-(1-(tetrahydro-2H-pyran-4-yl)-1H-benzo[d]imidazole-2-carbonyl)benzyl)piperidin-4-yl)phenyl)acetamide
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| Structure |
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| Formula |
C33H36N4O3
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| Molecular Weight |
536.676
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| Canonical SMILES |
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4C4CCOCC4)cc3)CC2)c1
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| InChI |
InChI=1S/C33H36N4O3/c1-23(38)34-28-6-4-5-27(21-28)25-13-17-36(18-14-25)22-24-9-11-26(12-10-24)32(39)33-35-30-7-2-3-8-31(30)37(33)29-15-19-40-20-16-29/h2-12,21,25,29H,13-20,22H2,1H3,(H,34,38)
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| InChIKey |
VCBWUFDWEUOZAT-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2