General Information of the Compound
| Compound ID |
CP0671238
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| Compound Name |
(E)-N-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-3-phenyl-acrylamide
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| Formula |
C30H31NO4
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| Molecular Weight |
469.581
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| Canonical SMILES |
O=C(/C=C/c1ccccc1)Nc1cccc(C(c2c(O)oc3c(c2=O)CCCCCC3)C2CC2)c1
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| InChI |
InChI=1S/C30H31NO4/c32-26(18-15-20-9-4-3-5-10-20)31-23-12-8-11-22(19-23)27(21-16-17-21)28-29(33)24-13-6-1-2-7-14-25(24)35-30(28)34/h3-5,8-12,15,18-19,21,27,34H,1-2,6-7,13-14,16-17H2,(H,31,32)/b18-15+
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| InChIKey |
UNMMBWMCDQJIGU-OBGWFSINSA-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