General Information of the Compound
| Compound ID |
CP0399267
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| Compound Name |
propan-2-yl 2-[3-[[(2S,3R)-3-hydroxy-4-(3-methoxyanilino)-1-phenylbutan-2-yl]carbamoyl]-5-(1-phenylethylcarbamoyl)-4-propyl-4H-pyridin-1-yl]acetate
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| Structure |
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| Formula |
C40H50N4O6
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| Molecular Weight |
682.862
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| Canonical SMILES |
CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1)C(=O)NC(C)c1ccccc1
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| InChI |
InChI=1S/C40H50N4O6/c1-6-14-33-34(39(47)42-28(4)30-17-11-8-12-18-30)24-44(26-38(46)50-27(2)3)25-35(33)40(48)43-36(21-29-15-9-7-10-16-29)37(45)23-41-31-19-13-20-32(22-31)49-5/h7-13,15-20,22,24-25,27-28,33,36-37,41,45H,6,14,21,23,26H2,1-5H3,(H,42,47)(H,43,48)/t28?,33?,36-,37+/m0/s1
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| InChIKey |
FGPAWXPJMYQIHY-XFABHIOCSA-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