General Information of the Compound
| Compound ID |
CP0862909
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| Compound Name |
US9328120, 23
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| Structure |
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| Formula |
C18H20N6O2
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| Molecular Weight |
352.398
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| Canonical SMILES |
O=c1[nH]c([C@@H]2CC[C@H]2c2ncccn2)nc2c1cnn2C1CCOCC1
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| InChI |
InChI=1S/C18H20N6O2/c25-18-14-10-21-24(11-4-8-26-9-5-11)17(14)22-16(23-18)13-3-2-12(13)15-19-6-1-7-20-15/h1,6-7,10-13H,2-5,8-9H2,(H,22,23,25)/t12-,13-/m1/s1
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| InChIKey |
YFZGGVMKUHMYQG-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