General Information of the Compound
| Compound ID |
CP0069740
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| Compound Name |
ethyl 2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethoxy]-1,3-thiazole-5-carboxylate
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| Structure |
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| Formula |
C30H31N5O4S
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| Molecular Weight |
557.676
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| Canonical SMILES |
CCOC(=O)c1sc(nc1OCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C30H31N5O4S/c1-2-38-30(37)26-28(35-29(40-26)19-13-14-31-24(17-19)34-27(36)18-11-12-18)39-16-15-32-25-20-7-3-5-9-22(20)33-23-10-6-4-8-21(23)25/h3,5,7,9,13-14,17-18H,2,4,6,8,10-12,15-16H2,1H3,(H,32,33)(H,31,34,36)
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| InChIKey |
XSHPNZOYFVHBMS-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