General Information of the Compound
| Compound ID |
CP0403489
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| Compound Name |
US8598357, 54
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| Formula |
C25H36N2O3
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| Molecular Weight |
412.574
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C1CCC1
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| InChI |
InChI=1S/C25H36N2O3/c28-25(20-3-1-4-20)26-21-9-7-18(8-10-21)11-14-27-15-12-19(13-16-27)22-5-2-6-23-24(22)30-17-29-23/h2,5-6,18-21H,1,3-4,7-17H2,(H,26,28)/t18-,21-
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| InChIKey |
NBWWBMWMDFWWPB-XGAFWQRZSA-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