General Information of the Compound
| Compound ID |
CP0575834
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| Compound Name |
6-(2,4-dichlorophenyl)-5-[4-[[1-(3-fluoropropyl)azetidin-3-ylidene]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol
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| Formula |
C30H28Cl2FNO
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| Molecular Weight |
508.464
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| Canonical SMILES |
Oc1ccc2c(CCCC(c3ccc(Cl)cc3Cl)=C2c2ccc(C=C3CN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C30H28Cl2FNO/c31-24-9-11-27(29(32)17-24)28-4-1-3-23-16-25(35)10-12-26(23)30(28)22-7-5-20(6-8-22)15-21-18-34(19-21)14-2-13-33/h5-12,15-17,35H,1-4,13-14,18-19H2
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| InChIKey |
GRVQZENLMAIFEI-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