General Information of the Compound
| Compound ID |
CP0409863
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| Compound Name |
US8586579, 163
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| Formula |
C30H42N4O3
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| Molecular Weight |
506.691
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| Canonical SMILES |
CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C30H42N4O3/c1-30(2,3)37-25-10-6-23(7-11-25)29(35)32-24-8-4-22(5-9-24)13-16-33-17-19-34(20-18-33)28-26-14-21-36-27(26)12-15-31-28/h6-7,10-12,15,22,24H,4-5,8-9,13-14,16-21H2,1-3H3,(H,32,35)/t22-,24-
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| InChIKey |
OAIALYFMHHTONS-HCGLCNNCSA-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