General Information of the Compound
| Compound ID |
CP0401851
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| Compound Name |
US10946023, Compound 271
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| Structure |
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| Formula |
C16H17ClN8
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| Molecular Weight |
356.821
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| Canonical SMILES |
CC(CC#N)Nc1nc(NC(C)CC#N)nc(n1)-c1cccc(Cl)n1
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| InChI |
InChI=1S/C16H17ClN8/c1-10(6-8-18)20-15-23-14(12-4-3-5-13(17)22-12)24-16(25-15)21-11(2)7-9-19/h3-5,10-11H,6-7H2,1-2H3,(H2,20,21,23,24,25)
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| InChIKey |
NTLZDWVSKRAINR-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