General Information of the Compound
| Compound ID |
CP0345411
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| Compound Name |
9-Fluoro-2,2,4-trimethyl-5-(3-methyl-2-methylene-butylidene)-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C25H26FNO
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| Molecular Weight |
375.487
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| Canonical SMILES |
CC(C)C(=C)\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12
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| InChI |
InChI=1S/C25H26FNO/c1-14(2)15(3)11-22-24-18(19-12-17(26)7-10-21(19)28-22)8-9-20-23(24)16(4)13-25(5,6)27-20/h7-14,27H,3H2,1-2,4-6H3/b22-11-
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| InChIKey |
KKXDNPAQGRATDU-JJFYIABZSA-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