General Information of the Compound
| Compound ID |
CP0114373
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| Compound Name |
(3-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-propyl)-carbamic acid tert-butyl ester
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| Structure |
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| Formula |
C30H40N2O6
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| Molecular Weight |
524.658
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
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| InChI |
InChI=1S/C30H40N2O6/c1-30(2,3)38-29(36)31-17-9-14-24(33)32-21-11-8-10-20(18-21)25(19-15-16-19)26-27(34)22-12-6-4-5-7-13-23(22)37-28(26)35/h8,10-11,18-19,25,34H,4-7,9,12-17H2,1-3H3,(H,31,36)(H,32,33)
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| InChIKey |
QHGHGSBEVNMIQN-UHFFFAOYSA-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