General Information of the Compound
| Compound ID |
CP0363304
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| Compound Name |
US8680275, 26
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| Structure |
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| Formula |
C22H25N7O
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| Molecular Weight |
403.49
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| Canonical SMILES |
Cc1ccc(c(c1)C(=O)N1CCC2CN(C2C1)c1nc(C)cc(C)n1)-n1nccn1
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| InChI |
InChI=1S/C22H25N7O/c1-14-4-5-19(29-23-7-8-24-29)18(10-14)21(30)27-9-6-17-12-28(20(17)13-27)22-25-15(2)11-16(3)26-22/h4-5,7-8,10-11,17,20H,6,9,12-13H2,1-3H3
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| InChIKey |
OQHCXNWWBQRUSP-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