General Information of the Compound
| Compound ID |
CP0090362
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| Compound Name |
5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C26H23Cl2NO2
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| Molecular Weight |
452.381
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| Canonical SMILES |
COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
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| InChIKey |
UTLVNNNRCCRBDZ-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