General Information of the Compound
| Compound ID |
CP0701867
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| Compound Name |
(R)-3-methyl-4-(1-((R)-1-(methylsulfonyl)ethyl)-6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-imidazo[4,5-c]pyridin-4-yl)morpholine
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| Structure |
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| Formula |
C21H24N6O3S
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| Molecular Weight |
440.529
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| Canonical SMILES |
C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)cc2c1ncn2[C@@H](C)S(C)(=O)=O
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| InChI |
InChI=1S/C21H24N6O3S/c1-13-11-30-7-6-26(13)21-20-19(27(12-24-20)14(2)31(3,28)29)8-17(25-21)16-9-22-10-18-15(16)4-5-23-18/h4-5,8-10,12-14,23H,6-7,11H2,1-3H3/t13-,14-/m1/s1
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| InChIKey |
SSPHMGCXSJLCMP-ZIAGYGMSSA-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