General Information of the Compound
| Compound ID |
CP0454205
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| Compound Name |
2-Cyano-N-decyl-3-[1-(2-dimethylaminoethyl)-2-methyl-1Hindol-3-yl]-acrylamide
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| Structure |
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| Formula |
C27H40N4O
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| Molecular Weight |
436.644
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| Canonical SMILES |
CCCCCCCCCCNC(=O)C(=C\c1c(C)n(CCN(C)C)c2ccccc12)\C#N
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| InChI |
InChI=1S/C27H40N4O/c1-5-6-7-8-9-10-11-14-17-29-27(32)23(21-28)20-25-22(2)31(19-18-30(3)4)26-16-13-12-15-24(25)26/h12-13,15-16,20H,5-11,14,17-19H2,1-4H3,(H,29,32)/b23-20+
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| InChIKey |
XEEKZKDMVVSTMU-BSYVCWPDSA-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