General Information of the Compound
| Compound ID |
CP0408302
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| Compound Name |
US8586579, 30
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| Formula |
C20H30N4O2S2
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| Molecular Weight |
422.62
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| Canonical SMILES |
CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1
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| InChI |
InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-4-2-16(3-5-17)7-10-23-11-13-24(14-12-23)20-18-8-15-27-19(18)6-9-21-20/h6,8-9,15-17,22H,2-5,7,10-14H2,1H3/t16-,17-
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| InChIKey |
BUNARIUEVNWERA-QAQDUYKDSA-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