General Information of the Compound
| Compound ID |
CP0742383
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| Compound Name |
2-[(1S)-1-Cyclopropylethyl]-7-methanesulfonyl-5-[3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C25H25N5O3S
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| Molecular Weight |
475.574
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(S(C)(=O)=O)c2C1=O
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| InChI |
InChI=1S/C25H25N5O3S/c1-14(15-4-5-15)30-13-18-6-16(8-22(34(3,32)33)23(18)25(30)31)17-7-20-21(11-27-24(20)26-9-17)19-10-28-29(2)12-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,26,27)/t14-/m0/s1
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| InChIKey |
CQXJORHUFPYPBQ-AWEZNQCLSA-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