General Information of the Compound
| Compound ID |
CP0413986
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| Compound Name |
US8586579, 92
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| Formula |
C28H44N4O3
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| Molecular Weight |
484.685
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| Canonical SMILES |
CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)CC1
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| InChI |
InChI=1S/C28H44N4O3/c1-34-24-8-4-22(5-9-24)20-27(33)30-23-6-2-21(3-7-23)11-14-31-15-17-32(18-16-31)28-25-12-19-35-26(25)10-13-29-28/h10,13,21-24H,2-9,11-12,14-20H2,1H3,(H,30,33)/t21-,22-,23-,24-
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| InChIKey |
JCPOEWYYYWHNCO-ZWGSZDQZSA-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