General Information of the Compound
| Compound ID |
CP0574119
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| Compound Name |
US9428456, 3.012
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| Structure |
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| Formula |
C22H30N4O2S
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| Molecular Weight |
414.575
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| Canonical SMILES |
Cc1cncc(c1)C(=O)Nc1cc(CN2CCC(CC2)C(=O)NC(C)(C)C)cs1
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| InChI |
InChI=1S/C22H30N4O2S/c1-15-9-18(12-23-11-15)20(27)24-19-10-16(14-29-19)13-26-7-5-17(6-8-26)21(28)25-22(2,3)4/h9-12,14,17H,5-8,13H2,1-4H3,(H,24,27)(H,25,28)
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| InChIKey |
VPBITJKPXBAHMS-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