General Information of the Compound
| Compound ID |
CP0516922
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| Compound Name |
US10501411, Example 246
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| Structure |
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| Formula |
C20H24N2OS
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| Molecular Weight |
340.492
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| Canonical SMILES |
CCSc1cccc(c1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1
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| InChI |
InChI=1S/C20H24N2OS/c1-2-24-19-7-3-5-16(13-19)20(23)22-18-10-8-15(9-11-18)17-6-4-12-21-14-17/h3,5,7-11,13,17,21H,2,4,6,12,14H2,1H3,(H,22,23)/t17-/m1/s1
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| InChIKey |
IBCFOEWIUJZKRT-QGZVFWFLSA-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