General Information of the Compound
| Compound ID |
CP0520661
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| Compound Name |
US8802673, 180
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| Structure |
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| Formula |
C15H17ClN4O2
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| Molecular Weight |
320.78
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| Canonical SMILES |
COc1cc(Cl)nc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1
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| InChI |
InChI=1S/C15H17ClN4O2/c1-21-14-8-13(16)19-15(20-14)18-11-4-2-10(3-5-11)12-9-17-6-7-22-12/h2-5,8,12,17H,6-7,9H2,1H3,(H,18,19,20)/t12-/m0/s1
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| InChIKey |
IRVWWOUMOANUBX-LBPRGKRZSA-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