General Information of the Compound
| Compound ID |
CP0442014
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| Compound Name |
US8993586, 43
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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 |
CC(C)n1cc2CC3(CCN(CC3)C(=O)C3=CC4C(NN=C4C)C(C)=C3)NC(=O)c2n1
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| InChI |
InChI=1S/C23H30N6O2/c1-13(2)29-12-17-11-23(24-21(30)20(17)27-29)5-7-28(8-6-23)22(31)16-9-14(3)19-18(10-16)15(4)25-26-19/h9-10,12-13,18-19,26H,5-8,11H2,1-4H3,(H,24,30)
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| InChIKey |
MBLCKXOZBFOELZ-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