General Information of the Compound
| Compound ID |
CP0493123
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| Compound Name |
US10501411, Example 310
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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 |
C[C@@H]1CNC[C@@H](O1)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
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| InChI |
InChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-5-14(6-3-12)21-17(22)13-4-7-16(18)20-9-13/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22)/t11-,15-/m1/s1
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| InChIKey |
HGVSDFUEWUFYSN-IAQYHMDHSA-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