General Information of the Compound
| Compound ID |
CP0803452
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| Compound Name |
2-[(1S)-1-Cyclopropylethyl]-N,N-dimethyl-6-[3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide
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| Formula |
C26H28N6O3S
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| Molecular Weight |
504.616
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(S(=O)(=O)N(C)C)c2C1=O
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| InChI |
InChI=1S/C26H28N6O3S/c1-15(16-5-6-16)32-14-19-7-17(9-23(24(19)26(32)33)36(34,35)30(2)3)18-8-21-22(12-28-25(21)27-10-18)20-11-29-31(4)13-20/h7-13,15-16H,5-6,14H2,1-4H3,(H,27,28)/t15-/m0/s1
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| InChIKey |
BPJMUVIAPYNYDV-HNNXBMFYSA-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