General Information of the Compound
| Compound ID |
CP0538921
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| Compound Name |
US8586579, 66
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| Formula |
C21H35N5O3S
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| Molecular Weight |
437.61
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| Canonical SMILES |
CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C21H35N5O3S/c1-24(2)30(27,28)23-18-5-3-17(4-6-18)8-11-25-12-14-26(15-13-25)21-19-9-16-29-20(19)7-10-22-21/h7,10,17-18,23H,3-6,8-9,11-16H2,1-2H3/t17-,18-
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| InChIKey |
CKOUWIPOSAPIGS-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