General Information of the Compound
| Compound ID |
CP0017099
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| Compound Name |
2-[(1S)-1-cyclopropylethyl]-7-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3H-isoindol-1-one
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| Structure |
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| Formula |
C20H20N4O
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| Molecular Weight |
332.407
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1cnc2[nH]ccc2n1
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| InChI |
InChI=1S/C20H20N4O/c1-11-7-14(17-9-22-19-16(23-17)5-6-21-19)8-15-10-24(20(25)18(11)15)12(2)13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,21,22)/t12-/m0/s1
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| InChIKey |
GUINRVXRHQCRST-LBPRGKRZSA-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