General Information of the Compound
| Compound ID |
CP0174341
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| Compound Name |
US8664236, A12
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| Structure |
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| Formula |
C23H22N8
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| Molecular Weight |
410.485
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| Canonical SMILES |
CCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C23H22N8/c1-3-31(17-7-5-4-6-8-17)21-10-20(28-23(24)29-21)19-13-26-22-18(19)9-15(11-25-22)16-12-27-30(2)14-16/h4-14H,3H2,1-2H3,(H,25,26)(H2,24,28,29)
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| InChIKey |
YFTPBLVHHOAOOB-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