General Information of the Compound
| Compound ID |
CP0492839
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| Compound Name |
Benzo[1,3]dioxol-5-yl-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-acetic acid methyl ester
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| Structure |
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| Formula |
C25H22O4
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| Molecular Weight |
386.447
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| Canonical SMILES |
COC(=O)C(C1c2ccccc2CCc2ccccc12)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H22O4/c1-27-25(26)23(18-12-13-21-22(14-18)29-15-28-21)24-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)24/h2-9,12-14,23-24H,10-11,15H2,1H3
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| InChIKey |
YRFGKNFBHATPQQ-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