General Information of the Compound
| Compound ID |
CP0158683
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| Compound Name |
US8664236, A19
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| Structure |
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| Formula |
C24H23ClN8
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| Molecular Weight |
458.957
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(C)c3ccccc3Cl)c2c1
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| InChI |
InChI=1S/C24H23ClN8/c1-14(2)33-13-16(11-29-33)15-8-17-18(12-28-23(17)27-10-15)20-9-22(31-24(26)30-20)32(3)21-7-5-4-6-19(21)25/h4-14H,1-3H3,(H,27,28)(H2,26,30,31)
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| InChIKey |
DTLPNAVIVZUHNH-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