General Information of the Compound
| Compound ID |
CP0902151
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| Compound Name |
US9181230, 51
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| Structure |
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| Formula |
C17H20N4O2
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| Molecular Weight |
312.373
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| Canonical SMILES |
CC(C)Oc1ncc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12
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| InChI |
InChI=1S/C17H20N4O2/c1-10(2)23-17-19-8-13-12-7-11(15-9-18-5-6-22-15)3-4-14(12)20-16(13)21-17/h3-4,7-8,10,15,18H,5-6,9H2,1-2H3,(H,19,20,21)/t15-/m1/s1
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| InChIKey |
OGYSIDKHHXGNCH-OAHLLOKOSA-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