General Information of the Compound
| Compound ID |
CP0513075
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| Compound Name |
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
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| Structure |
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| Formula |
C27H25N5O2
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| Molecular Weight |
451.53
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| Canonical SMILES |
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)[C@H](Cc1ccccc1)NC1(CC1)c1ccccn1
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| InChI |
InChI=1S/C27H25N5O2/c33-25-22(17-21(18-30-25)20-9-14-28-15-10-20)31-26(34)23(16-19-6-2-1-3-7-19)32-27(11-12-27)24-8-4-5-13-29-24/h1-10,13-15,17-18,23,32H,11-12,16H2,(H,30,33)(H,31,34)/t23-/m0/s1
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| InChIKey |
QQQMLGGCBKAPKW-QHCPKHFHSA-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: PT03750, Probable G-protein coupled receptor 142
Protein ID: PT06102, Probable G-protein coupled receptor 142