General Information of the Compound
| Compound ID |
CP0549256
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| Compound Name |
(2S)-3-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-3-naphthalen-2-ylpropanoyl]amino]propanamide
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| Structure |
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| Formula |
C38H48N4O7
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| Molecular Weight |
672.823
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C38H48N4O7/c1-25(2)19-31(35(44)38(3)24-49-38)40-37(46)33(21-26-10-13-30(47-4)14-11-26)41-36(45)32(39-34(43)23-42-15-17-48-18-16-42)22-27-9-12-28-7-5-6-8-29(28)20-27/h5-14,20,25,31-33H,15-19,21-24H2,1-4H3,(H,39,43)(H,40,46)(H,41,45)/t31-,32-,33-,38+/m0/s1
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| InChIKey |
MBSXFXRWARVFLI-ZZUYEWEESA-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