General Information of the Compound
| Compound ID |
CP0458559
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| Compound Name |
US9469631, 76
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| Structure |
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| Formula |
C25H34N6O4S
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| Molecular Weight |
514.652
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| Canonical SMILES |
CN(C)C(=O)Nc1nnc(s1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C25H34N6O4S/c1-25(2,3)35-24(34)30-14-12-19(13-15-30)31(18-10-11-18)21(32)17-8-6-16(7-9-17)20-27-28-22(36-20)26-23(33)29(4)5/h6-9,18-19H,10-15H2,1-5H3,(H,26,28,33)
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| InChIKey |
VCBYUKVMSAXONA-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