General Information of the Compound
| Compound ID |
CP0470661
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| Compound Name |
US9481682, 175
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| Structure |
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| Formula |
C26H28N8O2
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| Molecular Weight |
484.564
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| Canonical SMILES |
Cc1cc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)nn1C
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| InChI |
InChI=1S/C26H28N8O2/c1-15-13-20(31-32(15)2)29-26(36)17-5-3-16(4-6-17)22-23-24(27)28-11-12-33(23)25(30-22)18-7-8-19-9-10-21(35)34(19)14-18/h3-6,11-13,18-19H,7-10,14H2,1-2H3,(H2,27,28)(H,29,31,36)/t18-,19+/m1/s1
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| InChIKey |
AFGBGSMPEFFJOI-MOPGFXCFSA-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