General Information of the Compound
| Compound ID |
CP0470664
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| Compound Name |
US9481682, 203
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| Structure |
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| Formula |
C26H26ClN7O3S
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| Molecular Weight |
552.06
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1ncc(C)s1
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| InChI |
InChI=1S/C26H26ClN7O3S/c1-13-10-30-26(38-13)32-25(36)14-4-7-17(18(9-14)37-2)21-22-23(28)29-11-19(27)34(22)24(31-21)15-3-5-16-6-8-20(35)33(16)12-15/h4,7,9-11,15-16H,3,5-6,8,12H2,1-2H3,(H2,28,29)(H,30,32,36)/t15-,16+/m1/s1
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| InChIKey |
MQDMOJQCNGQOGF-CVEARBPZSA-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