General Information of the Compound
| Compound ID |
CP0401493
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| Compound Name |
US8586579, 18
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| Formula |
C22H32N4OS
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| Molecular Weight |
400.592
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| Canonical SMILES |
CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1
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| InChI |
InChI=1S/C22H32N4OS/c1-2-21(27)24-18-5-3-17(4-6-18)8-11-25-12-14-26(15-13-25)22-19-9-16-28-20(19)7-10-23-22/h7,9-10,16-18H,2-6,8,11-15H2,1H3,(H,24,27)/t17-,18-
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| InChIKey |
TYZKGCIDJUPIPC-IYARVYRRSA-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