General Information of the Compound
| Compound ID |
CP0570072
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| Compound Name |
4-methoxy-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 |
C28H31N7O3S
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| Molecular Weight |
545.669
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| Canonical SMILES |
CNC(=O)c1sc(nc1OC)-c1ccnc(NC(=O)CNCCNc2c3CCCCc3nc3ccccc23)c1
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| InChI |
InChI=1S/C28H31N7O3S/c1-29-26(37)25-27(38-2)35-28(39-25)17-11-12-31-22(15-17)34-23(36)16-30-13-14-32-24-18-7-3-5-9-20(18)33-21-10-6-4-8-19(21)24/h3,5,7,9,11-12,15,30H,4,6,8,10,13-14,16H2,1-2H3,(H,29,37)(H,32,33)(H,31,34,36)
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| InChIKey |
UJBNMVVJVRQAIM-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