General Information of the Compound
| Compound ID |
CP0256084
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| Compound Name |
2-(3-aminophenoxy)-N-[(2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propyl]acetamide
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| Structure |
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| Formula |
C42H40N4O5
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| Molecular Weight |
680.805
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@@H](CNC(=O)COc2cccc(N)c2)Nc2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C42H40N4O5/c1-29-38(46-42(51-29)32-13-6-3-7-14-32)23-24-49-35-21-19-30(20-22-35)25-34(27-44-40(47)28-50-36-16-10-15-33(43)26-36)45-39-18-9-8-17-37(39)41(48)31-11-4-2-5-12-31/h2-22,26,34,45H,23-25,27-28,43H2,1H3,(H,44,47)/t34-/m0/s1
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| InChIKey |
XXJDYPCYPZFJJK-UMSFTDKQSA-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