General Information of the Compound
| Compound ID |
CP0415635
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| Compound Name |
US8586579, 74
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| Formula |
C27H33F3N4O2
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| Molecular Weight |
502.581
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C27H33F3N4O2/c28-27(29,30)21-5-3-20(4-6-21)26(35)32-22-7-1-19(2-8-22)10-13-33-14-16-34(17-15-33)25-23-11-18-36-24(23)9-12-31-25/h3-6,9,12,19,22H,1-2,7-8,10-11,13-18H2,(H,32,35)/t19-,22-
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| InChIKey |
JVTXPXRMOCVEDH-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