General Information of the Compound
| Compound ID |
CP0515865
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| Compound Name |
methyl 3-[[7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-6-yl]sulfanyl]propanoate
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| Structure |
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| Formula |
C23H21FN2O5S
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| Molecular Weight |
456.495
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| Canonical SMILES |
COC(=O)CCSC1N(Cc2ccc(F)cc2)C(=O)c2c1c(OC)c1cccnc1c2O
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| InChI |
InChI=1S/C23H21FN2O5S/c1-30-16(27)9-11-32-23-18-17(20(28)19-15(21(18)31-2)4-3-10-25-19)22(29)26(23)12-13-5-7-14(24)8-6-13/h3-8,10,23,28H,9,11-12H2,1-2H3
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| InChIKey |
GRGNESBXDOBYAE-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