General Information of the Compound
| Compound ID |
CP0946585
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| Compound Name |
(20RS)-sodium 2-(13-amino-8-hydroxymethyl-9-oxo-9,11-dihydro[1,3]dioxolo[5,4-g]indolizino[1,2-b]quinolin-7-yl)-2-hydroxybutanoate
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| Structure |
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| Formula |
C21H18N3NaO7
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| Molecular Weight |
447.379
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| Canonical SMILES |
CCC(O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3c(N)c4c(cc3nc1-2)OCO4.[Na+]
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| InChI |
InChI=1S/C21H19N3O7.Na/c1-2-21(29,20(27)28)12-4-14-17-9(6-24(14)19(26)11(12)7-25)3-10-13(23-17)5-15-18(16(10)22)31-8-30-15;/h3-5,25,29H,2,6-8,22H2,1H3,(H,27,28);/q;+1/p-1
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| InChIKey |
OCQWLIIGGNGFFX-UHFFFAOYSA-M
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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