General Information of the Compound
| Compound ID |
CP0555964
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| Compound Name |
US10501411, Example 231
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| Structure |
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| Formula |
C20H19N3O2S
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| Molecular Weight |
365.458
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C1CNCCO1)c1cnc(s1)-c1ccccc1
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| InChI |
InChI=1S/C20H19N3O2S/c24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17/h1-9,13,17,21H,10-12H2,(H,23,24)
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| InChIKey |
VNCZMBMKODMGRG-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