General Information of the Compound
| Compound ID |
CP0888197
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| Compound Name |
(Z)-5-(2'-(3'-acetylthienylmethylidene))1,2-dihydro-9-hydroxy-10-methoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline
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| Structure |
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| Formula |
C27H25NO4S
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| Molecular Weight |
459.567
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| Canonical SMILES |
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(C)=O)O2)C(C)=CC(C)(C)N3
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| InChI |
InChI=1S/C27H25NO4S/c1-14-13-27(3,4)28-18-7-6-17-24(23(14)18)21(12-22-16(15(2)29)10-11-33-22)32-20-9-8-19(30)26(31-5)25(17)20/h6-13,28,30H,1-5H3/b21-12-
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| InChIKey |
VMJXNOKTPKNUJR-MTJSOVHGSA-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