General Information of the Compound
| Compound ID |
CP0441416
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| Compound Name |
US8586579, 149
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| Formula |
C28H36N4O4
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| Molecular Weight |
492.62
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| Canonical SMILES |
O=C(Cc1ccc2OCOc2c1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C28H36N4O4/c33-27(18-21-3-6-25-26(17-21)36-19-35-25)30-22-4-1-20(2-5-22)8-11-31-12-14-32(15-13-31)28-23-9-16-34-24(23)7-10-29-28/h3,6-7,10,17,20,22H,1-2,4-5,8-9,11-16,18-19H2,(H,30,33)/t20-,22-
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| InChIKey |
ONAUJHKYHSJWDK-AQYVVDRMSA-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