General Information of the Compound
| Compound ID |
CP0387669
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| Compound Name |
US10501411, Example 239
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| Structure |
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| Formula |
C16H17ClN4O
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| Molecular Weight |
316.792
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| Canonical SMILES |
Clc1cnc(cn1)C(=O)Nc1ccc(cc1)[C@H]1CCCNC1
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| InChI |
InChI=1S/C16H17ClN4O/c17-15-10-19-14(9-20-15)16(22)21-13-5-3-11(4-6-13)12-2-1-7-18-8-12/h3-6,9-10,12,18H,1-2,7-8H2,(H,21,22)/t12-/m0/s1
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| InChIKey |
VCQRGMMHDZMTLR-LBPRGKRZSA-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