General Information of the Compound
| Compound ID |
CP0565144
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| Compound Name |
US9428456, 1.051
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| Structure |
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| Formula |
C24H33N5O2
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| Molecular Weight |
423.561
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| Canonical SMILES |
Cn1cnc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C24H33N5O2/c1-28-16-22(25-17-28)24(31)27-21-9-5-6-18(14-21)15-29-12-10-19(11-13-29)23(30)26-20-7-3-2-4-8-20/h5-6,9,14,16-17,19-20H,2-4,7-8,10-13,15H2,1H3,(H,26,30)(H,27,31)
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| InChIKey |
MPUKLKQUQGQVMI-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