General Information of the Compound
| Compound ID |
CP0372871
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| Compound Name |
5-(4-Bromo-phenyl)-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C25H21BrClNO
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| Molecular Weight |
466.806
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Br)cc4)c3c12
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| InChI |
InChI=1S/C25H21BrClNO/c1-14-13-25(2,3)28-20-10-9-18-19-12-17(27)8-11-21(19)29-24(23(18)22(14)20)15-4-6-16(26)7-5-15/h4-13,24,28H,1-3H3
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| InChIKey |
NXOAZERTYTUOOS-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