General Information of the Compound
| Compound ID |
CP0488841
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| Compound Name |
US9029370, 82
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| Structure |
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| Formula |
C21H17F3N4O4
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| Molecular Weight |
446.385
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| Canonical SMILES |
Fc1cc(ccc1NC(=O)c1cnn(c1)-c1ccc2OC(F)(F)Oc2c1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C21H17F3N4O4/c22-15-7-12(19-10-25-5-6-30-19)1-3-16(15)27-20(29)13-9-26-28(11-13)14-2-4-17-18(8-14)32-21(23,24)31-17/h1-4,7-9,11,19,25H,5-6,10H2,(H,27,29)/t19-/m1/s1
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| InChIKey |
QWHOYSQRVJSGDS-LJQANCHMSA-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1