General Information of the Compound
| Compound ID |
CP0574554
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| Compound Name |
4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide
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| Structure |
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| Formula |
C29H42N4O2
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| Molecular Weight |
478.681
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| Canonical SMILES |
COc1ccccc1N1CCC2(CCN(CCCCNC(=O)c3ccc(cc3)N(C)C)CC2)CC1
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| InChI |
InChI=1S/C29H42N4O2/c1-31(2)25-12-10-24(11-13-25)28(34)30-18-6-7-19-32-20-14-29(15-21-32)16-22-33(23-17-29)26-8-4-5-9-27(26)35-3/h4-5,8-13H,6-7,14-23H2,1-3H3,(H,30,34)
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| InChIKey |
GOESYBVAFIXBFO-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