General Information of the Compound
| Compound ID |
CP0512287
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| Compound Name |
US9428456, 1.354
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| Structure |
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| Formula |
C26H32N4O2S
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| Molecular Weight |
464.635
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| Canonical SMILES |
Cc1nc2cc(ccc2s1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC(C)(C)C)c1
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| InChI |
InChI=1S/C26H32N4O2S/c1-17-27-22-15-20(8-9-23(22)33-17)24(31)28-21-7-5-6-18(14-21)16-30-12-10-19(11-13-30)25(32)29-26(2,3)4/h5-9,14-15,19H,10-13,16H2,1-4H3,(H,28,31)(H,29,32)
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| InChIKey |
ABSPWPFIBZUQNZ-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