General Information of the Compound
| Compound ID |
CP0959444
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| Compound Name |
2-[(1S)-1-Cyclopropylethyl]-7-methyl-5-[3-(pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(C4CCNC4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C25H28N4O/c1-14-7-18(8-20-13-29(25(30)23(14)20)15(2)16-3-4-16)19-9-21-22(17-5-6-26-10-17)12-28-24(21)27-11-19/h7-9,11-12,15-17,26H,3-6,10,13H2,1-2H3,(H,27,28)/t15-,17?/m0/s1
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| InChIKey |
KJEBOLHRGBOYJN-MYJWUSKBSA-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