General Information of the Compound
| Compound ID |
CP0495568
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| Compound Name |
US9169240, 20
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| Structure |
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| Formula |
C26H26N4O4S
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| Molecular Weight |
490.585
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C26H26N4O4S/c1-26(2,3)34-25(32)30-13-11-17(12-14-30)22-28-29-23(33-22)21(31)24-27-19-10-9-18(15-20(19)35-24)16-7-5-4-6-8-16/h4-10,15,17H,11-14H2,1-3H3
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| InChIKey |
LZEYZLBNICIFOG-UHFFFAOYSA-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