General Information of the Compound
| Compound ID |
CP0396422
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| Compound Name |
US8586579, 29
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| Formula |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1)c1ccnc2ccccc12
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| InChI |
InChI=1S/C29H33N5O2/c35-29(24-9-13-30-26-4-2-1-3-23(24)26)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-25-12-20-36-27(25)10-14-31-28/h1-4,9-10,12-14,20-22H,5-8,11,15-19H2,(H,32,35)/t21-,22-
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| InChIKey |
IQGWEXBXERIPCR-HZCBDIJESA-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