General Information of the Compound
| Compound ID |
CP0484076
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| Compound Name |
US10501411, Example 75
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| Structure |
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| Formula |
C16H15F2N3O
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| Molecular Weight |
303.312
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| Canonical SMILES |
Fc1cnc(C(=O)Nc2ccc(cc2)C2CCNC2)c(F)c1
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| InChI |
InChI=1S/C16H15F2N3O/c17-12-7-14(18)15(20-9-12)16(22)21-13-3-1-10(2-4-13)11-5-6-19-8-11/h1-4,7,9,11,19H,5-6,8H2,(H,21,22)
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| InChIKey |
ZKIXFWIQEWZHAY-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: PT03501, Trace amine-associated receptor 1