General Information of the Compound
| Compound ID |
CP0445039
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| Compound Name |
US9434725, 112
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| Structure |
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| Formula |
C24H25N7
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| Molecular Weight |
411.513
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| Canonical SMILES |
C1CC1c1cncc(c1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
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| InChI |
InChI=1S/C24H25N7/c1-3-23(30-9-2-7-25-8-10-30)29-24(4-1)31-22-12-21(27-15-20(22)16-28-31)19-11-18(13-26-14-19)17-5-6-17/h1,3-4,11-17,25H,2,5-10H2
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| InChIKey |
AJSPZKRUHWHKOB-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