General Information of the Compound
| Compound ID |
CP0521292
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| Compound Name |
US8993586, 15
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| Structure |
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| Formula |
C23H30N6O2
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| Molecular Weight |
422.533
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| Canonical SMILES |
CCC1=NNC2C=CC(=CC12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
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| InChI |
InChI=1S/C23H30N6O2/c1-4-18-17-11-15(5-6-19(17)27-26-18)22(31)28-9-7-23(8-10-28)12-16-13-24-29(14(2)3)20(16)21(30)25-23/h5-6,11,13-14,17,19,27H,4,7-10,12H2,1-3H3,(H,25,30)
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| InChIKey |
DFRDGDSVICUFHU-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