General Information of the Compound
| Compound ID |
CP0899550
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| Compound Name |
US9029370, 2
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| Structure |
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| Formula |
C18H16F2N4O2
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| Molecular Weight |
358.348
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| Canonical SMILES |
O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1n[nH]c2cc(F)ccc12
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| InChI |
InChI=1S/C18H16F2N4O2/c19-11-2-3-12-15(8-11)23-24-17(12)18(25)22-14-4-1-10(7-13(14)20)16-9-21-5-6-26-16/h1-4,7-8,16,21H,5-6,9H2,(H,22,25)(H,23,24)/t16-/m1/s1
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| InChIKey |
XQQSAQSHEVFKOP-MRXNPFEDSA-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