General Information of the Compound
| Compound ID |
CP0420039
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| Compound Name |
(2S)-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-[(2-morpholin-4-ylacetyl)amino]-3-(4-phenylphenyl)propanamide
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| Structure |
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| Formula |
C40H50N4O7
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| Molecular Weight |
698.861
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)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/C40H50N4O7/c1-27(2)22-33(37(46)40(3)26-51-40)42-39(48)35(24-29-12-16-32(49-4)17-13-29)43-38(47)34(41-36(45)25-44-18-20-50-21-19-44)23-28-10-14-31(15-11-28)30-8-6-5-7-9-30/h5-17,27,33-35H,18-26H2,1-4H3,(H,41,45)(H,42,48)(H,43,47)/t33-,34-,35-,40+/m0/s1
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| InChIKey |
UXTAXLIFMSZDCV-BHRDRLSISA-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