General Information of the Compound
| Compound ID |
CP0405866
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| Compound Name |
US10501411, Example 281
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| Structure |
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| Formula |
C17H17Cl2N3O
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| Molecular Weight |
350.249
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| Canonical SMILES |
Clc1cc(cc(Cl)n1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1
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| InChI |
InChI=1S/C17H17Cl2N3O/c18-15-8-13(9-16(19)22-15)17(23)21-14-5-3-11(4-6-14)12-2-1-7-20-10-12/h3-6,8-9,12,20H,1-2,7,10H2,(H,21,23)/t12-/m1/s1
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| InChIKey |
UNPXDJVIXCAWBG-GFCCVEGCSA-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1