General Information of the Compound
| Compound ID |
CP0561163
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| Compound Name |
US10501411, Example 296
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| Structure |
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| Formula |
C18H19N5O2S
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| Molecular Weight |
369.45
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| Canonical SMILES |
Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1ccc(cc1)C1CNCCO1
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| InChI |
InChI=1S/C18H19N5O2S/c1-23-10-13(8-20-23)18-22-15(11-26-18)17(24)21-14-4-2-12(3-5-14)16-9-19-6-7-25-16/h2-5,8,10-11,16,19H,6-7,9H2,1H3,(H,21,24)
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| InChIKey |
KUWDUDVLHGPRFV-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1