General Information of the Compound
| Compound ID |
CP0536242
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| Compound Name |
US8802673, 87
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| Structure |
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| Formula |
C18H22N4O
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| Molecular Weight |
310.401
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| Canonical SMILES |
Cc1cc(ccc1Nc1ncc(cn1)C1CC1)C1CNCCO1
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| InChI |
InChI=1S/C18H22N4O/c1-12-8-14(17-11-19-6-7-23-17)4-5-16(12)22-18-20-9-15(10-21-18)13-2-3-13/h4-5,8-10,13,17,19H,2-3,6-7,11H2,1H3,(H,20,21,22)
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| InChIKey |
JOUBDIHHQWSQRJ-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: PT06968, Trace amine-associated receptor 7b