General Information of the Compound
| Compound ID |
CP0486508
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| Compound Name |
US8586579, 154
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| Formula |
C29H36N6O3
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| Molecular Weight |
516.646
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| Canonical SMILES |
Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C29H36N6O3/c1-20-31-27(33-38-20)22-3-2-4-23(19-22)29(36)32-24-7-5-21(6-8-24)10-13-34-14-16-35(17-15-34)28-25-11-18-37-26(25)9-12-30-28/h2-4,9,12,19,21,24H,5-8,10-11,13-18H2,1H3,(H,32,36)/t21-,24-
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| InChIKey |
DZYJECJNISMMEC-SAIGFBBZSA-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