General Information of the Compound
| Compound ID |
CP0506179
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| Compound Name |
Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-1-(2-methoxy-2-oxoethyl)-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C33H42N4O6
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| Molecular Weight |
590.721
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| Canonical SMILES |
COC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1
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| InChI |
InChI=1S/C33H42N4O6/c1-21-30(32(40)35-27(17-24-11-7-5-8-12-24)28(38)18-34-26-15-16-26)22(2)37(19-29(39)42-4)23(3)31(21)33(41)36-43-20-25-13-9-6-10-14-25/h5-14,21,26-28,34,38H,15-20H2,1-4H3,(H,35,40)(H,36,41)/t21?,27-,28+/m0/s1
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| InChIKey |
BXCHXBQOUXEKRO-WQUSIPDKSA-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