General Information of the Compound
| Compound ID |
CP0914173
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| Compound Name |
US9181230, 24
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| Structure |
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| Formula |
C18H23N3O2
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| Molecular Weight |
313.401
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| Canonical SMILES |
c1cc([C@H]2CNCCO2)ccc1-c1cc(C2CCOCC2)[nH]n1
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| InChI |
InChI=1S/C18H23N3O2/c1-3-15(18-12-19-7-10-23-18)4-2-13(1)16-11-17(21-20-16)14-5-8-22-9-6-14/h1-4,11,14,18-19H,5-10,12H2,(H,20,21)/t18-/m1/s1
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| InChIKey |
IHHVBWMDGHWRLN-GOSISDBHSA-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