General Information of the Compound
| Compound ID |
CP0577280
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| Compound Name |
US9428456, 2.045
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| Structure |
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| Formula |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
Cc1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2(CC2)C#N)c1
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| InChI |
InChI=1S/C24H27N5O2/c1-17-11-20(14-26-13-17)22(30)27-21-4-2-3-18(12-21)15-29-9-5-19(6-10-29)23(31)28-24(16-25)7-8-24/h2-4,11-14,19H,5-10,15H2,1H3,(H,27,30)(H,28,31)
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| InChIKey |
WUFXHNCQQGNDSL-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