General Information of the Compound
| Compound ID |
CP0339426
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| Compound Name |
3-[[7-[5-chloro-3-methyl-2-[(3S,4R)-3-methylpiperidin-4-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
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| Structure |
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| Formula |
C26H26ClN3O3S
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| Molecular Weight |
496.032
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| Canonical SMILES |
C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4CC4C3=O)sc12
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| InChI |
InChI=1S/C26H26ClN3O3S/c1-13-7-15(27)8-18(23(13)33-22-4-5-28-11-14(22)2)17-3-6-29-21-9-16(34-24(17)21)12-30-25(31)19-10-20(19)26(30)32/h3,6-9,14,19-20,22,28H,4-5,10-12H2,1-2H3/t14-,19?,20?,22+/m0/s1
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| InChIKey |
TWVAGLKFJBPJEZ-VPMRZTOHSA-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