General Information of the Compound
| Compound ID |
CP0954979
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| Compound Name |
2-[(1S)-1-Cyclopropylethyl]-N-methyl-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 |
C25H26N6O3S
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| Molecular Weight |
490.589
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| Canonical SMILES |
CNS(=O)(=O)c1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C25H26N6O3S/c1-14(15-4-5-15)31-13-18-6-16(8-22(23(18)25(31)32)35(33,34)26-2)17-7-20-21(11-28-24(20)27-9-17)19-10-29-30(3)12-19/h6-12,14-15,26H,4-5,13H2,1-3H3,(H,27,28)/t14-/m0/s1
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| InChIKey |
XIFKGJBEARFSLO-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