General Information of the Compound
| Compound ID |
CP0385772
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| Compound Name |
US8586579, 23
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| Formula |
C26H38N4O2S
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| Molecular Weight |
470.683
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| Canonical SMILES |
O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1
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| InChI |
InChI=1S/C26H38N4O2S/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31)/t20-,22-
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| InChIKey |
OFWNLCWKTRJZBM-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