General Information of the Compound
| Compound ID |
CP0488370
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| Compound Name |
US10501411, Example 244
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| Structure |
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| Formula |
C18H21N3OS
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| Molecular Weight |
327.453
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| Canonical SMILES |
CSc1ccc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1
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| InChI |
InChI=1S/C18H21N3OS/c1-23-17-9-6-15(12-20-17)18(22)21-16-7-4-13(5-8-16)14-3-2-10-19-11-14/h4-9,12,14,19H,2-3,10-11H2,1H3,(H,21,22)/t14-/m1/s1
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| InChIKey |
AKFINJOPCYZMGH-CQSZACIVSA-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