General Information of the Compound
| Compound ID |
CP0413158
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| Compound Name |
US9481682, 158
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| Structure |
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| Formula |
C27H28ClN7O3S
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| Molecular Weight |
566.087
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| Canonical SMILES |
CCOc1cc(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/C27H28ClN7O3S/c1-3-38-19-10-15(26(37)33-27-31-11-14(2)39-27)5-8-18(19)22-23-24(29)30-12-20(28)35(23)25(32-22)16-4-6-17-7-9-21(36)34(17)13-16/h5,8,10-12,16-17H,3-4,6-7,9,13H2,1-2H3,(H2,29,30)(H,31,33,37)/t16-,17+/m1/s1
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| InChIKey |
AJYQMBGZMHIGFO-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