General Information of the Compound
| Compound ID |
CP0911716
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| Compound Name |
(20RS)-7-ethyl-8,11-dioxo-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-7-yl 2-aminoacetate hydrochloride
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| Structure |
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| Formula |
C23H20ClN3O7
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| Molecular Weight |
485.88
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| Canonical SMILES |
CCC1(OC(=O)CN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4.Cl
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| InChI |
InChI=1S/C23H19N3O7.ClH/c1-2-23(33-19(27)7-24)14-5-16-20-12(8-26(16)21(28)13(14)9-30-22(23)29)3-11-4-17-18(32-10-31-17)6-15(11)25-20;/h3-6H,2,7-10,24H2,1H3;1H
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| InChIKey |
IQPMUOXMASRROP-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