General Information of the Compound
| Compound ID |
CP0375439
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| Compound Name |
4-(2-hydroxyethyl)-N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]benzamide
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| Structure |
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| Formula |
C25H35N3O3
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| Molecular Weight |
425.573
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| Canonical SMILES |
COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(CCO)cc2)CC1
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| InChI |
InChI=1S/C25H35N3O3/c1-31-24-8-3-2-7-23(24)28-17-6-16-27(18-19-28)15-5-4-14-26-25(30)22-11-9-21(10-12-22)13-20-29/h2-3,7-12,29H,4-6,13-20H2,1H3,(H,26,30)
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| InChIKey |
PITWYMITJRIVTR-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
Protein ID: PT01161, D(4) dopamine receptor