General Information of the Compound
| Compound ID |
CP0145160
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| Compound Name |
4-[[(2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propyl]amino]-2-methyl-4-oxobutanoic acid
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| Structure |
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| Formula |
C39H39N3O6
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| Molecular Weight |
645.756
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| Canonical SMILES |
CC(CC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C39H39N3O6/c1-26(39(45)46)23-36(43)40-25-31(41-35-16-10-9-15-33(35)37(44)29-11-5-3-6-12-29)24-28-17-19-32(20-18-28)47-22-21-34-27(2)48-38(42-34)30-13-7-4-8-14-30/h3-20,26,31,41H,21-25H2,1-2H3,(H,40,43)(H,45,46)/t26?,31-/m0/s1
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| InChIKey |
OXDSJRMUIRYBEI-VXPBITRUSA-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