General Information of the Compound
| Compound ID |
CP0384043
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| Compound Name |
US9481682, 178
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| Structure |
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| Formula |
C25H26N8O2S
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| Molecular Weight |
502.604
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| Canonical SMILES |
CCc1nsc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1
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| InChI |
InChI=1S/C25H26N8O2S/c1-2-18-28-25(36-31-18)30-24(35)15-5-3-14(4-6-15)20-21-22(26)27-11-12-32(21)23(29-20)16-7-8-17-9-10-19(34)33(17)13-16/h3-6,11-12,16-17H,2,7-10,13H2,1H3,(H2,26,27)(H,28,30,31,35)/t16-,17+/m1/s1
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| InChIKey |
JILBIKMHHFNMBM-SJORKVTESA-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