General Information of the Compound
| Compound ID |
CP0219181
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| Compound Name |
7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11-dione
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| Structure |
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| Formula |
C21H16N2O6
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| Molecular Weight |
392.367
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| Canonical SMILES |
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
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| InChI |
InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1
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| InChIKey |
RPFYDENHBPRCTN-NRFANRHFSA-N
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| CAS |
104155-89-7
135415-73-5
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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