General Information of the Compound
| Compound ID |
CP0512923
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| Compound Name |
US11697636, Example 151
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| Structure |
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| Formula |
C18H19ClN2O
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| Molecular Weight |
314.816
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| Canonical SMILES |
Clc1cccc(c1)C(=O)Nc1ccc(cc1)[C@H]1CCCNC1
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| InChI |
InChI=1S/C18H19ClN2O/c19-16-5-1-3-14(11-16)18(22)21-17-8-6-13(7-9-17)15-4-2-10-20-12-15/h1,3,5-9,11,15,20H,2,4,10,12H2,(H,21,22)/t15-/m0/s1
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| InChIKey |
ZLZDTXYJVXUIRV-HNNXBMFYSA-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1