General Information of the Compound
| Compound ID |
CP0069738
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| Compound Name |
methyl 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 |
C29H29N5O4S
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| Molecular Weight |
543.649
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| Canonical SMILES |
COC(=O)c1sc(nc1OCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C29H29N5O4S/c1-37-29(36)25-27(34-28(39-25)18-12-13-30-23(16-18)33-26(35)17-10-11-17)38-15-14-31-24-19-6-2-4-8-21(19)32-22-9-5-3-7-20(22)24/h2,4,6,8,12-13,16-17H,3,5,7,9-11,14-15H2,1H3,(H,31,32)(H,30,33,35)
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| InChIKey |
XZBJACSADMRYGX-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