General Information of the Compound
| Compound ID |
CP0264579
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| Compound Name |
2-[2-[[2-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]acetyl]amino]pyridin-4-yl]-4-(cyclopropylmethoxy)-N-methyl-1,3-thiazole-5-carboxamide
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| Formula |
C31H34ClN7O3S
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| Molecular Weight |
620.179
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1
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| InChI |
InChI=1S/C31H34ClN7O3S/c1-33-29(41)28-30(42-17-18-6-7-18)39-31(43-28)19-10-11-35-25(14-19)38-26(40)16-34-12-13-36-27-21-4-2-3-5-23(21)37-24-15-20(32)8-9-22(24)27/h8-11,14-15,18,34H,2-7,12-13,16-17H2,1H3,(H,33,41)(H,36,37)(H,35,38,40)
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| InChIKey |
WFLNSPBNQAGFFF-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