General Information of the Compound
| Compound ID |
CP0567805
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| Compound Name |
US9139585, 15
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| Structure |
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| Formula |
C25H28N6O5S
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| Molecular Weight |
524.603
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| Canonical SMILES |
Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N1[C@H]2CC[C@@H]1CN(C[C@H](O)c1ccc3C(=O)OCc3c1C)C2
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| InChI |
InChI=1S/C25H28N6O5S/c1-15-9-19(5-8-23(15)30-14-26-27-28-30)37(34,35)31-17-3-4-18(31)11-29(10-17)12-24(32)20-6-7-21-22(16(20)2)13-36-25(21)33/h5-9,14,17-18,24,32H,3-4,10-13H2,1-2H3/t17-,18+,24-/m0/s1
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| InChIKey |
MTFPLPNLHYBQBQ-RHGYRFJNSA-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