General Information of the Compound
| Compound ID |
CP0124784
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| Compound Name |
CHEMBL1290037
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| Formula |
C22H20N4O2
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| Molecular Weight |
372.428
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| Canonical SMILES |
O=C1O[C@@]2(CN1c1ccccc1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N
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| InChI |
InChI=1S/C22H20N4O2/c23-13-15-6-7-18-19(12-15)25-20(24-18)16-8-10-22(11-9-16)14-26(21(27)28-22)17-4-2-1-3-5-17/h1-7,12,16H,8-11,14H2,(H,24,25)/t16-,22-
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| InChIKey |
VJDPCRVAZYFIDE-CIEDQVTBSA-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: PT01795, Neuropeptide Y receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2