General Information of the Compound
| Compound ID |
CP0460993
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| Compound Name |
N-[4-[4-(N-benzoyl-2-methoxyanilino)piperidin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C34H37N3O3
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| Molecular Weight |
535.688
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| Canonical SMILES |
COc1ccccc1N(C1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C34H37N3O3/c1-40-32-16-8-7-15-31(32)37(34(39)27-12-3-2-4-13-27)30-19-23-36(24-20-30)22-10-9-21-35-33(38)29-18-17-26-11-5-6-14-28(26)25-29/h2-8,11-18,25,30H,9-10,19-24H2,1H3,(H,35,38)
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| InChIKey |
YJRKUTHRZOUCHT-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor