General Information of the Compound
| Compound ID |
CP0049051
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| Compound Name |
5-Allyl-7-bromo-10-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysen-9-ol
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| Structure |
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| Formula |
C22H21BrClNO2
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| Molecular Weight |
446.772
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4c(Br)cc(O)c(Cl)c-34)c12
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| InChI |
InChI=1S/C22H21BrClNO2/c1-5-6-16-18-12(19-20(24)15(26)9-13(23)21(19)27-16)7-8-14-17(18)11(2)10-22(3,4)25-14/h5,7-10,16,25-26H,1,6H2,2-4H3
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| InChIKey |
VKYPRKNSJRILPH-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