General Information of the Compound
| Compound ID |
CP0045716
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| Compound Name |
(S)-2-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C31H40N2O6
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| Molecular Weight |
536.669
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
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| InChI |
InChI=1S/C31H40N2O6/c1-31(2,3)39-30(37)33-17-9-13-23(33)28(35)32-21-11-8-10-20(18-21)25(19-15-16-19)26-27(34)22-12-6-4-5-7-14-24(22)38-29(26)36/h8,10-11,18-19,23,25,34H,4-7,9,12-17H2,1-3H3,(H,32,35)/t23-,25?/m0/s1
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| InChIKey |
LZHHKCZHWRYWOD-LFQPHHBNSA-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