General Information of the Compound
| Compound ID |
CP0557328
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| Compound Name |
US9029370, 42
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| Structure |
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| Formula |
C17H18ClN3O2
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| Molecular Weight |
331.803
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| Canonical SMILES |
Cc1cc(ccc1NC(=O)c1ccc(Cl)nc1)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C17H18ClN3O2/c1-11-8-12(15-10-19-6-7-23-15)2-4-14(11)21-17(22)13-3-5-16(18)20-9-13/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,21,22)/t15-/m0/s1
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| InChIKey |
UVVOHMATOPJZSR-HNNXBMFYSA-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