General Information of the Compound
| Compound ID |
CP0451698
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| Compound Name |
Ester, 27
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| Structure |
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| Formula |
C27H25NO5S
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| Molecular Weight |
475.566
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| Canonical SMILES |
COC(=O)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
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| InChI |
InChI=1S/C27H25NO5S/c1-14-13-27(2,3)28-17-7-6-16-23(22(14)17)20(12-21-15(10-11-34-21)26(30)32-5)33-19-9-8-18(29)25(31-4)24(16)19/h6-13,28-29H,1-5H3/b20-12-
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| InChIKey |
LSUIEOBBDXBMCZ-NDENLUEZSA-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