General Information of the Compound
| Compound ID |
CP0552497
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| Compound Name |
US9481682, 181
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| Structure |
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| Formula |
C28H30N8O2
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| Molecular Weight |
510.602
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| Canonical SMILES |
Cn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1C1CC1
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| InChI |
InChI=1S/C28H30N8O2/c1-34-21(16-2-3-16)14-22(33-34)31-28(38)18-6-4-17(5-7-18)24-25-26(29)30-12-13-35(25)27(32-24)19-8-9-20-10-11-23(37)36(20)15-19/h4-7,12-14,16,19-20H,2-3,8-11,15H2,1H3,(H2,29,30)(H,31,33,38)/t19-,20+/m1/s1
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| InChIKey |
LGMXHIFPMVCYRV-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