General Information of the Compound
| Compound ID |
CP0184752
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| Compound Name |
(20S)-15-chloro-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11-dione
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| Structure |
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| Formula |
C21H15ClN2O6
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| Molecular Weight |
426.812
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| Canonical SMILES |
CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(Cl)c4cc3Cn1c2=O
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| InChI |
InChI=1S/C21H15ClN2O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8H2,1H3
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| InChIKey |
AQSRKNJFNKOMDG-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