General Information of the Compound
| Compound ID |
CP0911715
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| Compound Name |
10-Aziridin-1-ylmethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione hydrochloride
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| Structure |
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| Formula |
C23H22ClN3O5
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| Molecular Weight |
455.898
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| Canonical SMILES |
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN4CC4)c(O)ccc3nc2-1.Cl
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| InChI |
InChI=1S/C23H21N3O5.ClH/c1-2-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25-5-6-25)19(27)4-3-17(13)24-20;/h3-4,7-8,27,30H,2,5-6,9-11H2,1H3;1H
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| InChIKey |
GZKBIFWHUMGSNK-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