General Information of the Compound
| Compound ID |
CP0488321
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| Compound Name |
US9029370, 35
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| Structure |
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| Formula |
C16H15Cl2N3O2
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| Molecular Weight |
352.221
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| Canonical SMILES |
Clc1ccc(cn1)C(=O)Nc1ccc(cc1Cl)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C16H15Cl2N3O2/c17-12-7-10(14-9-19-5-6-23-14)1-3-13(12)21-16(22)11-2-4-15(18)20-8-11/h1-4,7-8,14,19H,5-6,9H2,(H,21,22)/t14-/m0/s1
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| InChIKey |
PHRRPQIIQQIXRI-AWEZNQCLSA-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