General Information of the Compound
| Compound ID |
CP0543740
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| Compound Name |
2'-[(4-fluorophenyl)methyl]-4'-hydroxy-9'-methoxy-2',3'-dihydrospiro[cyclopropane-1,1'-pyrrolo[3,4-g]quinoline]-3'-one
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| Structure |
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| Formula |
C21H17FN2O3
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| Molecular Weight |
364.376
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| Canonical SMILES |
COc1c2c(C(=O)N(Cc3ccc(F)cc3)C22CC2)c(O)c2ncccc12
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| InChI |
InChI=1S/C21H17FN2O3/c1-27-19-14-3-2-10-23-17(14)18(25)15-16(19)21(8-9-21)24(20(15)26)11-12-4-6-13(22)7-5-12/h2-7,10,25H,8-9,11H2,1H3
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| InChIKey |
WFIXBTKQRNWAEU-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