General Information of the Compound
| Compound ID |
CP0387960
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| Compound Name |
2-Cyano-N-octyl-3-[1-(3-dimethylaminopropyl)-2-methyl-1Hindol-3-yl]-acrylamide
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| Structure |
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| Formula |
C26H38N4O
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| Molecular Weight |
422.617
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| Canonical SMILES |
CCCCCCCCNC(=O)C(=C\c1c(C)n(CCCN(C)C)c2ccccc12)\C#N
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| InChI |
InChI=1S/C26H38N4O/c1-5-6-7-8-9-12-16-28-26(31)22(20-27)19-24-21(2)30(18-13-17-29(3)4)25-15-11-10-14-23(24)25/h10-11,14-15,19H,5-9,12-13,16-18H2,1-4H3,(H,28,31)/b22-19+
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| InChIKey |
XXRLIGWROLDOLS-ZBJSNUHESA-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