General Information of the Compound
| Compound ID |
CP0509259
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| Compound Name |
tert-butyl 5-[[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]-1-(2-oxo-2-propan-2-yloxyethyl)-4-propyl-4H-pyridine-3-carboxylate
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| Structure |
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| Formula |
C32H47N3O6
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| Molecular Weight |
569.743
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| Canonical SMILES |
CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1
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| InChI |
InChI=1S/C32H47N3O6/c1-7-11-24-25(18-35(20-29(37)40-21(2)3)19-26(24)31(39)41-32(4,5)6)30(38)34-27(16-22-12-9-8-10-13-22)28(36)17-33-23-14-15-23/h8-10,12-13,18-19,21,23-24,27-28,33,36H,7,11,14-17,20H2,1-6H3,(H,34,38)/t24?,27-,28+/m0/s1
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| InChIKey |
KKEZYCVDBBSKPD-SCXVOSTRSA-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