General Information of the Compound
| Compound ID |
CP0931302
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| Compound Name |
N-(5-cyano-2-(4-(1-(4-fluorophenyl)ethyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C26H26FN5O2
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| Molecular Weight |
459.525
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(C(C)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C26H26FN5O2/c1-18(20-6-8-21(27)9-7-20)31-12-14-32(15-13-31)24-10-5-19(17-28)16-23(24)30-25(33)22-4-3-11-29-26(22)34-2/h3-11,16,18H,12-15H2,1-2H3,(H,30,33)
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| InChIKey |
JRGFLUDTPJJIQZ-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