General Information of the Compound
| Compound ID |
CP0490363
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| Compound Name |
(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-[(2-methylpropan-2-yl)oxy]butanamide
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| Structure |
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| Formula |
C32H42N6O6
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| Molecular Weight |
606.724
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(C)OC(C)(C)C)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C32H42N6O6/c1-20(27(39)32(6)19-43-32)34-28(40)24(17-22-13-9-7-10-14-22)35-30(42)26(21(2)44-31(3,4)5)36-29(41)25(37-38-33)18-23-15-11-8-12-16-23/h7-16,20-21,24-26H,17-19H2,1-6H3,(H,34,40)(H,35,42)(H,36,41)/t20-,21?,24-,25-,26-,32+/m0/s1
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| InChIKey |
ITRQYUFRZMXDMA-DXSRSINFSA-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