General Information of the Compound
| Compound ID |
CP0386481
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| Compound Name |
propan-2-yl 2-[3-acetyl-5-[[(2S,3R)-4-(cyclopropylamino)-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 |
C29H41N3O5
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| Molecular Weight |
511.663
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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)CNC2CC2)=C1C)C(C)=O
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| InChI |
InChI=1S/C29H41N3O5/c1-17(2)37-26(35)16-32-19(4)27(21(6)33)18(3)28(20(32)5)29(36)31-24(14-22-10-8-7-9-11-22)25(34)15-30-23-12-13-23/h7-11,17-18,23-25,30,34H,12-16H2,1-6H3,(H,31,36)/t18?,24-,25+/m0/s1
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| InChIKey |
AYTFEPLGCVRICQ-LTCITEBFSA-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