General Information of the Compound
| Compound ID |
CP0189615
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| Compound Name |
((R)-1-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester
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| Structure |
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| Formula |
C29H38N2O6
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| Molecular Weight |
510.631
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| Canonical SMILES |
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
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| InChI |
InChI=1S/C29H38N2O6/c1-17(30-28(35)37-29(2,3)4)26(33)31-20-11-9-10-19(16-20)23(18-14-15-18)24-25(32)21-12-7-5-6-8-13-22(21)36-27(24)34/h9-11,16-18,23,32H,5-8,12-15H2,1-4H3,(H,30,35)(H,31,33)/t17-,23?/m1/s1
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| InChIKey |
MSYTWGRTZFXVLE-LIXIDFRTSA-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