General Information of the Compound
| Compound ID |
CP0541733
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| Compound Name |
N-[4-[4-(2-methoxy-N-propanoylanilino)piperidin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C30H37N3O3
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| Molecular Weight |
487.644
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| Canonical SMILES |
CCC(=O)N(C1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1)c1ccccc1OC
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| InChI |
InChI=1S/C30H37N3O3/c1-3-29(34)33(27-12-6-7-13-28(27)36-2)26-16-20-32(21-17-26)19-9-8-18-31-30(35)25-15-14-23-10-4-5-11-24(23)22-25/h4-7,10-15,22,26H,3,8-9,16-21H2,1-2H3,(H,31,35)
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| InChIKey |
XXEHEVRQWFQRHR-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