General Information of the Compound
| Compound ID |
CP0578720
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| Compound Name |
4-(2,2-dimethylpropoxy)-N-methyl-2-[2-[[2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetyl]amino]pyridin-4-yl]-1,3-thiazole-5-carboxamide
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| Formula |
C32H39N7O3S
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| Molecular Weight |
601.777
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC(C)(C)C)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1
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| InChI |
InChI=1S/C32H39N7O3S/c1-32(2,3)19-42-30-28(29(41)33-4)43-31(39-30)20-13-14-35-25(17-20)38-26(40)18-34-15-16-36-27-21-9-5-7-11-23(21)37-24-12-8-6-10-22(24)27/h5,7,9,11,13-14,17,34H,6,8,10,12,15-16,18-19H2,1-4H3,(H,33,41)(H,36,37)(H,35,38,40)
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| InChIKey |
FNOUTFPQMJNBDX-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