General Information of the Compound
| Compound ID |
CP0524277
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| Compound Name |
US8586579, 50
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| Formula |
C25H33FN4O3S
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| Molecular Weight |
488.629
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C25H33FN4O3S/c26-20-3-7-22(8-4-20)34(31,32)28-21-5-1-19(2-6-21)10-13-29-14-16-30(17-15-29)25-23-11-18-33-24(23)9-12-27-25/h3-4,7-9,12,19,21,28H,1-2,5-6,10-11,13-18H2/t19-,21-
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| InChIKey |
OXMLHENURKVGGZ-XUTJKUGGSA-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