General Information of the Compound
| Compound ID |
CP0908500
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| Compound Name |
SID56314726
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| Structure |
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| Formula |
C27H28ClFN2O4
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| Molecular Weight |
498.982
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| Canonical SMILES |
COc1cc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)ccc1OCc1ccccc1Cl
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| InChI |
InChI=1S/C27H28ClFN2O4/c1-33-26-16-20(8-11-25(26)35-18-21-4-2-3-5-23(21)28)27(32)30-17-24(31-12-14-34-15-13-31)19-6-9-22(29)10-7-19/h2-11,16,24H,12-15,17-18H2,1H3,(H,30,32)
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| InChIKey |
OTBHSQODHHJLHL-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