General Information of the Compound
| Compound ID |
CP0939907
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| Compound Name |
KR30031 (racemic)
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| Structure |
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| Formula |
C26H34N2O4
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| Molecular Weight |
438.568
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| Canonical SMILES |
COc1ccc(CCN(C)CCCC2(C#N)CCc3c2ccc(OC)c3OC)cc1OC
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| InChI |
InChI=1S/C26H34N2O4/c1-28(16-12-19-7-9-22(29-2)24(17-19)31-4)15-6-13-26(18-27)14-11-20-21(26)8-10-23(30-3)25(20)32-5/h7-10,17H,6,11-16H2,1-5H3
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| InChIKey |
VLSLFQMGJUJBQJ-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