General Information of the Compound
| Compound ID |
CP0950236
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| Compound Name |
(20RS)-Sodium salt; 2-(1-amino-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyrate
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| Structure |
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| Formula |
C20H18N3NaO5
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| Molecular Weight |
403.37
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| Canonical SMILES |
CCC(O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3c(N)cccc3nc1-2.[Na+]
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| InChI |
InChI=1S/C20H19N3O5.Na/c1-2-20(28,19(26)27)13-7-16-17-10(8-23(16)18(25)12(13)9-24)6-11-14(21)4-3-5-15(11)22-17;/h3-7,24,28H,2,8-9,21H2,1H3,(H,26,27);/q;+1/p-1
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| InChIKey |
YXCNTVOJVSGRHA-UHFFFAOYSA-M
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| CAS |
122842-24-4
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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