General Information of the Compound
| Compound ID |
CP0443856
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| Compound Name |
US8802673, 73
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| Structure |
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| Formula |
C18H24N4O
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| Molecular Weight |
312.417
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| Canonical SMILES |
CC(C)c1cnc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1C
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| InChI |
InChI=1S/C18H24N4O/c1-12(2)16-10-20-18(21-13(16)3)22-15-6-4-14(5-7-15)17-11-19-8-9-23-17/h4-7,10,12,17,19H,8-9,11H2,1-3H3,(H,20,21,22)/t17-/m1/s1
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| InChIKey |
BTSKXINOIBFKMC-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT06968, Trace amine-associated receptor 7b