General Information of the Compound
| Compound ID |
CP0246240
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| Compound Name |
US8664236, A13
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| Structure |
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| Formula |
C23H21ClN8
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| Molecular Weight |
444.93
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| Canonical SMILES |
CCN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C23H21ClN8/c1-3-32(17-6-4-16(24)5-7-17)21-9-20(29-23(25)30-21)19-12-27-22-18(19)8-14(10-26-22)15-11-28-31(2)13-15/h4-13H,3H2,1-2H3,(H,26,27)(H2,25,29,30)
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| InChIKey |
WMQCPTPQYCYUMR-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