General Information of the Compound
| Compound ID |
CP0468996
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| Compound Name |
N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]-4-thiophen-3-ylbenzamide
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| Structure |
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| Formula |
C31H39N3O2S
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| Molecular Weight |
517.739
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| Canonical SMILES |
COc1ccccc1N1CCC2(CCN(CCCCNC(=O)c3ccc(cc3)-c3ccsc3)CC2)CC1
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| InChI |
InChI=1S/C31H39N3O2S/c1-36-29-7-3-2-6-28(29)34-21-15-31(16-22-34)13-19-33(20-14-31)18-5-4-17-32-30(35)26-10-8-25(9-11-26)27-12-23-37-24-27/h2-3,6-12,23-24H,4-5,13-22H2,1H3,(H,32,35)
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| InChIKey |
YTLHBRBFQQCIBL-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