General Information of the Compound
| Compound ID |
CP0476436
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| Compound Name |
Benzyl 5-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamoyl)-4-ethyl-2,6-dimethyl-1-(methylsulfonyl)-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C32H42N4O6S
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| Molecular Weight |
610.777
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| Canonical SMILES |
CCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H42N4O6S/c1-5-26-29(31(38)34-27(18-23-12-8-6-9-13-23)28(37)19-33-25-16-17-25)21(2)36(43(4,40)41)22(3)30(26)32(39)35-42-20-24-14-10-7-11-15-24/h6-15,25-28,33,37H,5,16-20H2,1-4H3,(H,34,38)(H,35,39)/t26?,27-,28+/m0/s1
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| InChIKey |
DWZMIAYLKQUVFW-GUQXXGRISA-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