General Information of the Compound
| Compound ID |
CP0261174
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| Compound Name |
5-Allyl-9-bromo-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 |
C23H24BrNO2
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| Molecular Weight |
426.354
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| Canonical SMILES |
COc1c(Br)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C23H24BrNO2/c1-6-7-17-20-14(21-18(27-17)11-9-15(24)22(21)26-5)8-10-16-19(20)13(2)12-23(3,4)25-16/h6,8-12,17,25H,1,7H2,2-5H3
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| InChIKey |
MIPUTBSSNQTOCB-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