General Information of the Compound
| Compound ID |
CP0238256
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| Compound Name |
N-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C29H29ClN6O3S
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| Molecular Weight |
577.11
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| Canonical SMILES |
COc1nc(sc1C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C29H29ClN6O3S/c1-39-28-25(40-29(36-28)17-10-11-31-23(14-17)35-26(37)16-6-7-16)27(38)33-13-12-32-24-19-4-2-3-5-21(19)34-22-15-18(30)8-9-20(22)24/h8-11,14-16H,2-7,12-13H2,1H3,(H,32,34)(H,33,38)(H,31,35,37)
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| InChIKey |
ONFMFCHPRZDMSB-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