General Information of the Compound
| Compound ID |
CP0505762
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| Compound Name |
tert-butyl 5-[[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]-4-methyl-1-(2-oxo-2-propan-2-yloxyethyl)-4H-pyridine-3-carboxylate
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| Structure |
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| Formula |
C30H43N3O6
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| Molecular Weight |
541.689
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| Canonical SMILES |
CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1
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| InChI |
InChI=1S/C30H43N3O6/c1-19(2)38-27(35)18-33-16-23(20(3)24(17-33)29(37)39-30(4,5)6)28(36)32-25(14-21-10-8-7-9-11-21)26(34)15-31-22-12-13-22/h7-11,16-17,19-20,22,25-26,31,34H,12-15,18H2,1-6H3,(H,32,36)/t20?,25-,26+/m0/s1
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| InChIKey |
UNWHHYUCVOOZLL-XUFZRAOVSA-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