General Information of the Compound
| Compound ID |
CP0397112
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| Compound Name |
US8598357, 78
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| Formula |
C22H35N3O4S
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| Molecular Weight |
437.606
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| Canonical SMILES |
CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
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| InChI |
InChI=1S/C22H35N3O4S/c1-24(2)30(26,27)23-19-8-6-17(7-9-19)10-13-25-14-11-18(12-15-25)20-4-3-5-21-22(20)29-16-28-21/h3-5,17-19,23H,6-16H2,1-2H3/t17-,19-
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| InChIKey |
RWXAMLMBPWFLTN-UAPYVXQJSA-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