General Information of the Compound
| Compound ID |
CP0553155
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| Compound Name |
1-[3-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methyl-pyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
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| Structure |
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| Formula |
C23H25FN4O2S
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| Molecular Weight |
440.544
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| Canonical SMILES |
C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1cnc2CN(Cc2c1)C(C)=O
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| InChI |
InChI=1S/C23H25FN4O2S/c1-13-4-19(30-18-5-17-10-28(15(3)29)12-22(17)25-8-18)11-27(13)9-16-6-21-23(7-20(16)24)31-14(2)26-21/h5-8,13,19H,4,9-12H2,1-3H3/t13-,19+/m0/s1
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| InChIKey |
HDEZEDNSDNXGSS-ORAYPTAESA-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