General Information of the Compound
| Compound ID |
CP0513361
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| Compound Name |
US9434725, 282
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| Structure |
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| Formula |
C21H23N9O
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| Molecular Weight |
417.477
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| Canonical SMILES |
OCCNc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
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| InChI |
InChI=1S/C21H23N9O/c31-9-6-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-3-1-2-20(28-21)29-7-4-22-5-8-29/h1-3,10-14,22,31H,4-9H2,(H,24,27)
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| InChIKey |
OOWGEGYPCQGHJZ-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