General Information of the Compound
| Compound ID |
CP0389323
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| Compound Name |
US8598357, 12
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| Formula |
C23H31F3N2O4
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| Molecular Weight |
456.505
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| Canonical SMILES |
OC(C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)C(F)(F)F
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| InChI |
InChI=1S/C23H31F3N2O4/c24-23(25,26)21(29)22(30)27-17-6-4-15(5-7-17)8-11-28-12-9-16(10-13-28)18-2-1-3-19-20(18)32-14-31-19/h1-3,15-17,21,29H,4-14H2,(H,27,30)/t15-,17-,21?
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| InChIKey |
UEOLBOREQLRPTL-DVUVRWKGSA-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