General Information of the Compound
| Compound ID |
CP0399265
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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]-2,6-dimethyl-4-propyl-4H-pyridin-1-yl]acetate
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| Structure |
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| Formula |
C34H44FN3O5
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| Molecular Weight |
593.74
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| Canonical SMILES |
CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1
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| InChI |
InChI=1S/C34H44FN3O5/c1-7-12-28-32(24(6)39)22(4)38(20-31(41)43-21(2)3)23(5)33(28)34(42)37-29(17-25-13-9-8-10-14-25)30(40)19-36-27-16-11-15-26(35)18-27/h8-11,13-16,18,21,28-30,36,40H,7,12,17,19-20H2,1-6H3,(H,37,42)/t28?,29-,30+/m0/s1
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| InChIKey |
LYLILSZAMXSWHD-YHCMTOLSSA-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