General Information of the Compound
| Compound ID |
CP0356698
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| Compound Name |
N-[4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C26H32N4O3S
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| Molecular Weight |
480.634
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C26H32N4O3S/c1-34(32,33)28-24-9-6-10-25(20-24)30-17-15-29(16-18-30)14-5-4-13-27-26(31)23-12-11-21-7-2-3-8-22(21)19-23/h2-3,6-12,19-20,28H,4-5,13-18H2,1H3,(H,27,31)
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| InChIKey |
PVEJYMIAJKGDRP-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