General Information of the Compound
| Compound ID |
CP0563323
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| Compound Name |
US9481682, 103
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| Structure |
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| Formula |
C28H27N7O4
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| Molecular Weight |
525.569
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| Canonical SMILES |
COC(=O)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1
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| InChI |
InChI=1S/C28H27N7O4/c1-39-28(38)18-10-11-30-21(14-18)32-27(37)17-4-2-16(3-5-17)23-24-25(29)31-12-13-34(24)26(33-23)19-6-7-20-8-9-22(36)35(20)15-19/h2-5,10-14,19-20H,6-9,15H2,1H3,(H2,29,31)(H,30,32,37)/t19-,20+/m1/s1
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| InChIKey |
NWWLPADTKHUGGJ-UXHICEINSA-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