General Information of the Compound
| Compound ID |
CP0523877
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| Compound Name |
US8598357, 63
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| Formula |
C29H44N2O4
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| Molecular Weight |
484.681
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| Canonical SMILES |
CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)CC1
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| InChI |
InChI=1S/C29H44N2O4/c1-33-25-11-7-22(8-12-25)19-28(32)30-24-9-5-21(6-10-24)13-16-31-17-14-23(15-18-31)26-3-2-4-27-29(26)35-20-34-27/h2-4,21-25H,5-20H2,1H3,(H,30,32)/t21-,22-,24-,25-
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| InChIKey |
BWPAYVFDIRAIID-ZKHCSVRISA-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