General Information of the Compound
| Compound ID |
CP0657801
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| Compound Name |
1-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-3-phenyl-urea
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| Formula |
C28H30N2O4
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| Molecular Weight |
458.558
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1cccc(C(c2c(O)oc3c(c2=O)CCCCCC3)C2CC2)c1
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| InChI |
InChI=1S/C28H30N2O4/c31-26-22-13-6-1-2-7-14-23(22)34-27(32)25(26)24(18-15-16-18)19-9-8-12-21(17-19)30-28(33)29-20-10-4-3-5-11-20/h3-5,8-12,17-18,24,32H,1-2,6-7,13-16H2,(H2,29,30,33)
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| InChIKey |
BSKSZNRKTWCHMH-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