General Information of the Compound
| Compound ID |
CP0330144
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| Compound Name |
3-[[7-[5-chloro-3-methyl-2-[[(2R,6R)-6-methylmorpholin-2-yl]methyl]phenyl]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]1CNC[C@@H](Cc2c(C)cc(Cl)cc2-c2ccnc3cc(CN4C(=O)C5CC5C4=O)sc23)O1
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| InChI |
InChI=1S/C26H26ClN3O3S/c1-13-5-15(27)6-20(19(13)7-16-11-28-10-14(2)33-16)18-3-4-29-23-8-17(34-24(18)23)12-30-25(31)21-9-22(21)26(30)32/h3-6,8,14,16,21-22,28H,7,9-12H2,1-2H3/t14-,16-,21?,22?/m1/s1
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| InChIKey |
JLPZIAGJKHDMOQ-SYJVCXSYSA-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