General Information of the Compound
| Compound ID |
CP0190505
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| Compound Name |
4-(cyclopropylmethoxy)-N-methyl-2-[2-[[2-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylamino]acetyl]amino]pyridin-4-yl]-1,3-thiazole-5-carboxamide
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| Formula |
C33H39N7O3S
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| Molecular Weight |
613.788
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)CNCCCCNc2c3CCCCc3nc3ccccc23)c1
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| InChI |
InChI=1S/C33H39N7O3S/c1-34-31(42)30-32(43-20-21-12-13-21)40-33(44-30)22-14-17-36-27(18-22)39-28(41)19-35-15-6-7-16-37-29-23-8-2-4-10-25(23)38-26-11-5-3-9-24(26)29/h2,4,8,10,14,17-18,21,35H,3,5-7,9,11-13,15-16,19-20H2,1H3,(H,34,42)(H,37,38)(H,36,39,41)
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| InChIKey |
RTZCOIZFSLQMHI-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