General Information of the Compound
| Compound ID |
CP0313019
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| Compound Name |
(2S)-N-[(2S,3R)-1-[[(2R)-3-(4-cyanophenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-methyloxirane-2-carboxamide
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| Structure |
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| Formula |
C23H32N4O5
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| Molecular Weight |
444.532
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| Canonical SMILES |
CNC(=O)[C@@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](NC(=O)[C@]1(C)CO1)[C@@H](C)OC(C)(C)C
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| InChI |
InChI=1S/C23H32N4O5/c1-14(32-22(2,3)4)18(27-21(30)23(5)13-31-23)20(29)26-17(19(28)25-6)11-15-7-9-16(12-24)10-8-15/h7-10,14,17-18H,11,13H2,1-6H3,(H,25,28)(H,26,29)(H,27,30)/t14-,17-,18+,23+/m1/s1
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| InChIKey |
LRXNJCCPNMMAJW-SWDAYOAKSA-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