General Information of the Compound
| Compound ID |
CP0531830
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| Compound Name |
US8993586, 25
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| Structure |
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| Formula |
C22H25N7O2
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| Molecular Weight |
419.489
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| Canonical SMILES |
CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C(NN=C4C#N)C=C3)NC(=O)c12
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| InChI |
InChI=1S/C22H25N7O2/c1-13(2)29-19-15(12-24-29)10-22(25-20(19)30)5-7-28(8-6-22)21(31)14-3-4-17-16(9-14)18(11-23)27-26-17/h3-4,9,12-13,16-17,26H,5-8,10H2,1-2H3,(H,25,30)
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| InChIKey |
DHCQVZRRSYYWJJ-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