General Information of the Compound
| Compound ID |
CP0859169
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| Compound Name |
(S)-N-[(S)-1-Adamantan-1-ylmethyl-2-((R)-2-methyl-oxiranyl)-2-oxo-ethyl]-3-(4-methoxy-phenyl)-2-[(S)-2-(2-morpholin-4-yl-acetylamino)-propionylamino]-propionamide
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| Structure |
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| Formula |
C35H50N4O7
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| Molecular Weight |
638.806
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC23CC4CC(CC(C4)C2)C3)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C35H50N4O7/c1-22(36-30(40)20-39-8-10-45-11-9-39)32(42)37-28(15-23-4-6-27(44-3)7-5-23)33(43)38-29(31(41)34(2)21-46-34)19-35-16-24-12-25(17-35)14-26(13-24)18-35/h4-7,22,24-26,28-29H,8-21H2,1-3H3,(H,36,40)(H,37,42)(H,38,43)/t22-,24?,25?,26?,28-,29-,34+,35?/m0/s1
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| InChIKey |
BMEKNPULKZSFNL-QYZGJDRTSA-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