General Information of the Compound
| Compound ID |
CP0572338
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| Compound Name |
US8901315, 262
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| Structure |
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| Formula |
C23H28N4O2S
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| Molecular Weight |
424.57
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(cc1)N1CC[C@@H](O)C1
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| InChI |
InChI=1S/C23H28N4O2S/c1-15-20-13-21(30-23(20)27(25-15)18-5-3-2-4-6-18)22(29)24-16-7-9-17(10-8-16)26-12-11-19(28)14-26/h7-10,13,18-19,28H,2-6,11-12,14H2,1H3,(H,24,29)/t19-/m1/s1
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| InChIKey |
CBRJCZVPSPSWPK-LJQANCHMSA-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