General Information of the Compound
| Compound ID |
CP0556040
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| Compound Name |
US8993586, 37
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| Structure |
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| Formula |
C22H29N7O2
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| Molecular Weight |
423.521
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| Canonical SMILES |
CNC1=NNC2C=CC(=CC12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
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| InChI |
InChI=1S/C22H29N7O2/c1-13(2)29-18-15(12-24-29)11-22(25-20(18)30)6-8-28(9-7-22)21(31)14-4-5-17-16(10-14)19(23-3)27-26-17/h4-5,10,12-13,16-17,26H,6-9,11H2,1-3H3,(H,23,27)(H,25,30)
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| InChIKey |
DJAFPQOTVKTANG-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