General Information of the Compound
| Compound ID |
CP0421611
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| Compound Name |
propan-2-yl 2-[3-[[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]-4-methyl-5-(1-phenylethylcarbamoyl)-4H-pyridin-1-yl]acetate
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| Structure |
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| Formula |
C34H44N4O5
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| Molecular Weight |
588.749
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| Canonical SMILES |
CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1
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| InChI |
InChI=1S/C34H44N4O5/c1-22(2)43-32(40)21-38-19-28(33(41)36-24(4)26-13-9-6-10-14-26)23(3)29(20-38)34(42)37-30(17-25-11-7-5-8-12-25)31(39)18-35-27-15-16-27/h5-14,19-20,22-24,27,30-31,35,39H,15-18,21H2,1-4H3,(H,36,41)(H,37,42)/t23?,24?,30-,31+/m0/s1
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| InChIKey |
RZQUFKGAXOEZNP-JKNAEVGKSA-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