General Information of the Compound
| Compound ID |
CP0452216
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| Compound Name |
(2S)-2-[(1,1-dioxothian-4-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C25H28N4O4S
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| Molecular Weight |
480.59
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| Canonical SMILES |
O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)[C@H](Cc1ccccc1)NCC1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C25H28N4O4S/c30-24-23(15-21(17-28-24)20-6-10-26-11-7-20)29-25(31)22(14-18-4-2-1-3-5-18)27-16-19-8-12-34(32,33)13-9-19/h1-7,10-11,15,17,19,22,27H,8-9,12-14,16H2,(H,28,30)(H,29,31)/t22-/m0/s1
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| InChIKey |
USBALAMAYDUKND-QFIPXVFZSA-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