General Information of the Compound
| Compound ID |
CP0576470
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| Compound Name |
US9481682, 202
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| Structure |
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| Formula |
C26H27N7O3S
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| Molecular Weight |
517.615
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1ncc(C)s1
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| InChI |
InChI=1S/C26H27N7O3S/c1-14-12-29-26(37-14)31-25(35)15-4-7-18(19(11-15)36-2)21-22-23(27)28-9-10-32(22)24(30-21)16-3-5-17-6-8-20(34)33(17)13-16/h4,7,9-12,16-17H,3,5-6,8,13H2,1-2H3,(H2,27,28)(H,29,31,35)/t16-,17+/m1/s1
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| InChIKey |
ZSXJVMFPGSHFOY-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