General Information of the Compound
| Compound ID |
CP0547146
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| Compound Name |
US8586579, 165
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| Formula |
C25H34N4O3S
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| Molecular Weight |
470.639
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| Canonical SMILES |
O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccccc1
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| InChI |
InChI=1S/C25H34N4O3S/c30-33(31,22-4-2-1-3-5-22)27-21-8-6-20(7-9-21)11-14-28-15-17-29(18-16-28)25-23-12-19-32-24(23)10-13-26-25/h1-5,10,13,20-21,27H,6-9,11-12,14-19H2/t20-,21-
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| InChIKey |
LWUHTASBTHFHOH-MEMLXQNLSA-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