General Information of the Compound
| Compound ID |
CP0561693
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| Compound Name |
US10028961, Compound 240
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| Structure |
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| Formula |
C20H26N6
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| Molecular Weight |
350.47
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(C=C)n1)C1CC1
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| InChI |
InChI=1S/C20H26N6/c1-4-16-6-5-7-17(23-16)18-24-19(21-12(2)14-8-9-14)26-20(25-18)22-13(3)15-10-11-15/h4-7,12-15H,1,8-11H2,2-3H3,(H2,21,22,24,25,26)/t12-,13-/m1/s1
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| InChIKey |
OYMZLJQIWORYFQ-CHWSQXEVSA-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