General Information of the Compound
| Compound ID |
CP0574106
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| Compound Name |
US10501411, Example 286
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| Structure |
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| Formula |
C17H18ClN3O2
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| Molecular Weight |
331.803
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| Canonical SMILES |
Cc1cc(cc(Cl)n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C17H18ClN3O2/c1-11-8-13(9-16(18)20-11)17(22)21-14-4-2-12(3-5-14)15-10-19-6-7-23-15/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22)/t15-/m1/s1
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| InChIKey |
UJWNXKANZXVFHO-OAHLLOKOSA-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