General Information of the Compound
| Compound ID |
CP0954976
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| Compound Name |
5-{2-[(1S)-1-Cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
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| Formula |
C22H21N3O3
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| Molecular Weight |
375.428
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(C(=O)O)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C22H21N3O3/c1-11-5-14(15-7-17-18(22(27)28)9-24-20(17)23-8-15)6-16-10-25(21(26)19(11)16)12(2)13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,23,24)(H,27,28)/t12-/m0/s1
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| InChIKey |
KYAAFPYKBXXNET-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