General Information of the Compound
| Compound ID |
CP0405837
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| Compound Name |
US10501411, Example 217
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| Structure |
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| Formula |
C15H17N3O2S
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| Molecular Weight |
303.387
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| Canonical SMILES |
Cc1nc(cs1)C(=O)Nc1ccc(cc1)C1CNCCO1
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| InChI |
InChI=1S/C15H17N3O2S/c1-10-17-13(9-21-10)15(19)18-12-4-2-11(3-5-12)14-8-16-6-7-20-14/h2-5,9,14,16H,6-8H2,1H3,(H,18,19)
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| InChIKey |
JEQFKXKYXLHVQE-UHFFFAOYSA-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