General Information of the Compound
| Compound ID |
CP0504358
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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-dimethyl-4H-pyridin-1-yl]acetate
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| Structure |
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| Formula |
C31H38FN3O5
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| Molecular Weight |
551.659
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| Canonical SMILES |
CC(C)OC(=O)CN1C=C(C(C)C(C(C)=O)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1
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| InChI |
InChI=1S/C31H38FN3O5/c1-19(2)40-29(38)18-35-17-26(20(3)30(21(35)4)22(5)36)31(39)34-27(14-23-10-7-6-8-11-23)28(37)16-33-25-13-9-12-24(32)15-25/h6-13,15,17,19-20,27-28,33,37H,14,16,18H2,1-5H3,(H,34,39)/t20?,27-,28+/m0/s1
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| InChIKey |
INANMIZMGODMAT-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