General Information of the Compound
| Compound ID |
CP0425406
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| Compound Name |
US8598357, 71
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| Formula |
C26H33FN2O4S
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| Molecular Weight |
488.625
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
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| InChI |
InChI=1S/C26H33FN2O4S/c27-21-6-10-23(11-7-21)34(30,31)28-22-8-4-19(5-9-22)12-15-29-16-13-20(14-17-29)24-2-1-3-25-26(24)33-18-32-25/h1-3,6-7,10-11,19-20,22,28H,4-5,8-9,12-18H2/t19-,22-
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| InChIKey |
IQNJCFSRWWUBAK-XYWHTSSQSA-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