General Information of the Compound
| Compound ID |
CP0488768
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| Compound Name |
US8993586, 66
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| Structure |
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| Formula |
C23H28N6O3
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| Molecular Weight |
436.516
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| Canonical SMILES |
COc1cc(cc2[nH]ncc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
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| InChI |
InChI=1S/C23H28N6O3/c1-22(2,3)29-13-15-11-23(25-20(30)19(15)27-29)5-7-28(8-6-23)21(31)14-9-17-16(12-24-26-17)18(10-14)32-4/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,26)(H,25,30)
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| InChIKey |
NNTVOQAABYVUKH-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