General Information of the Compound
| Compound ID |
CP0484075
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| Compound Name |
US10501411, Example 63
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| Structure |
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| Formula |
C17H17ClN2O2
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| Molecular Weight |
316.788
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| Canonical SMILES |
O[C@@H]1CNC[C@H]1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C17H17ClN2O2/c18-13-5-1-12(2-6-13)17(22)20-14-7-3-11(4-8-14)15-9-19-10-16(15)21/h1-8,15-16,19,21H,9-10H2,(H,20,22)/t15-,16+/m0/s1
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| InChIKey |
KJUMFGHKFBIFOX-JKSUJKDBSA-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