General Information of the Compound
| Compound ID |
CP0540676
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| Compound Name |
(2S)-2-[[(2S)-3-(1-adamantyl)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-3-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]propanamide
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| Structure |
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| Formula |
C38H56N4O7
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| Molecular Weight |
680.887
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](CC23CC4CC(CC(C4)C2)C3)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/C38H56N4O7/c1-24(2)13-30(34(44)37(3)23-49-37)40-35(45)31(17-25-5-7-29(47-4)8-6-25)41-36(46)32(39-33(43)22-42-9-11-48-12-10-42)21-38-18-26-14-27(19-38)16-28(15-26)20-38/h5-8,24,26-28,30-32H,9-23H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)/t26?,27?,28?,30-,31-,32-,37+,38?/m0/s1
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| InChIKey |
OQEQKIYPXDJWHW-VEAMZEBPSA-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