General Information of the Compound
| Compound ID |
CP0559652
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| Compound Name |
US8993612, 5
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| Structure |
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| Formula |
C24H23N5O
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| Molecular Weight |
397.482
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| Canonical SMILES |
O=C(Cn1cnc2ccccc12)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
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| InChI |
InChI=1S/C24H23N5O/c30-24(14-28-15-25-20-3-1-2-4-22(20)28)26-18-9-11-19(12-10-18)29-23(17-7-8-17)13-21(27-29)16-5-6-16/h1-4,9-13,15-17H,5-8,14H2,(H,26,30)
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| InChIKey |
MAJKGCYRUWETGW-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