General Information of the Compound
| Compound ID |
CP0525123
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| Compound Name |
US8586579, 53
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| Formula |
C25H38N4O3
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| Molecular Weight |
442.604
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CCCOC1
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| InChI |
InChI=1S/C25H38N4O3/c30-25(20-2-1-16-31-18-20)27-21-5-3-19(4-6-21)8-11-28-12-14-29(15-13-28)24-22-9-17-32-23(22)7-10-26-24/h7,10,19-21H,1-6,8-9,11-18H2,(H,27,30)/t19-,20?,21-
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| InChIKey |
RBGONAOLWTWGIH-HBCBNPTOSA-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