General Information of the Compound
| Compound ID |
CP0399263
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| Compound Name |
propan-2-yl 2-[3-acetyl-5-[[(2S,3R)-4-(3-fluoroanilino)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]-2,4,6-trimethyl-4H-pyridin-1-yl]acetate
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| Structure |
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| Formula |
C32H40FN3O5
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| Molecular Weight |
565.686
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| Canonical SMILES |
CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNc2cccc(F)c2)=C1C)C(C)=O
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| InChI |
InChI=1S/C32H40FN3O5/c1-19(2)41-29(39)18-36-21(4)30(23(6)37)20(3)31(22(36)5)32(40)35-27(15-24-11-8-7-9-12-24)28(38)17-34-26-14-10-13-25(33)16-26/h7-14,16,19-20,27-28,34,38H,15,17-18H2,1-6H3,(H,35,40)/t20?,27-,28+/m0/s1
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| InChIKey |
LGSJTMUEVUBNRI-MDVVCPKYSA-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