General Information of the Compound
| Compound ID |
CP0520556
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| Compound Name |
US8993586, 7
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| Structure |
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| Formula |
C23H28N6O2
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| Molecular Weight |
420.517
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| Canonical SMILES |
Cc1cc(cc2c[nH]nc12)C(=O)N1CCC2(CC1)Cc1cnn(c1C(=O)N2)C(C)(C)C
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| InChI |
InChI=1S/C23H28N6O2/c1-14-9-15(10-16-12-24-27-18(14)16)21(31)28-7-5-23(6-8-28)11-17-13-25-29(22(2,3)4)19(17)20(30)26-23/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,27)(H,26,30)
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| InChIKey |
CPYQAPRHOQDIPQ-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