General Information of the Compound
| Compound ID |
CP0562637
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| Compound Name |
(20RS)-4-(2-Bromo-ethyl)-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
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| Structure |
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| Formula |
C20H15BrN2O4
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| Molecular Weight |
427.254
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| Canonical SMILES |
OC1(CCBr)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
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| InChI |
InChI=1S/C20H15BrN2O4/c21-6-5-20(26)14-8-16-17-12(7-11-3-1-2-4-15(11)22-17)9-23(16)18(24)13(14)10-27-19(20)25/h1-4,7-8,26H,5-6,9-10H2
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| InChIKey |
MAQYQWZDOMEUJC-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