General Information of the Compound
| Compound ID |
CP0069739
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| Compound Name |
N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C30H31ClN6O3S
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| Molecular Weight |
591.137
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| Canonical SMILES |
COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C30H31ClN6O3S/c1-40-29-26(41-30(37-29)18-11-14-32-24(15-18)36-27(38)17-7-8-17)28(39)34-13-4-12-33-25-20-5-2-3-6-22(20)35-23-16-19(31)9-10-21(23)25/h9-11,14-17H,2-8,12-13H2,1H3,(H,33,35)(H,34,39)(H,32,36,38)
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| InChIKey |
WPOYFQFVGWXOSQ-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