General Information of the Compound
| Compound ID |
CP0493439
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| Compound Name |
US8586579, 123
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| Formula |
C24H36N4O3
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| Molecular Weight |
428.577
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| Canonical SMILES |
OC1(CCC1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C24H36N4O3/c29-23(24(30)9-1-10-24)26-19-4-2-18(3-5-19)7-12-27-13-15-28(16-14-27)22-20-8-17-31-21(20)6-11-25-22/h6,11,18-19,30H,1-5,7-10,12-17H2,(H,26,29)/t18-,19-
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| InChIKey |
WPDISOIHGGRFRZ-WGSAOQKQSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor