General Information of the Compound
| Compound ID |
CP0450708
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| Compound Name |
US10028961, Compound 290
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| Structure |
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| Formula |
C18H23ClN6O2
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| Molecular Weight |
390.875
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| Canonical SMILES |
OC1CCCC1Nc1nc(NC2CCCC2O)nc(n1)-c1cccc(Cl)n1
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| InChI |
InChI=1S/C18H23ClN6O2/c19-15-9-3-6-12(20-15)16-23-17(21-10-4-1-7-13(10)26)25-18(24-16)22-11-5-2-8-14(11)27/h3,6,9-11,13-14,26-27H,1-2,4-5,7-8H2,(H2,21,22,23,24,25)
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| InChIKey |
FIFASAIIXLNWSD-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