General Information of the Compound
| Compound ID |
CP0536714
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| Compound Name |
4-[3-(2-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]-2-hydroxy-2-methyl-1-pyrrolidin-1-ylbut-3-yn-1-one
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)C(=O)N1CCCC1
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| InChI |
InChI=1S/C21H21N5O2/c1-21(28,19(27)26-9-2-3-10-26)8-7-14-5-4-6-15(11-14)16-12-23-17-13-24-20(22)25-18(16)17/h4-6,11-13,23,28H,2-3,9-10H2,1H3,(H2,22,24,25)
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| InChIKey |
VBMPPDXUPTXTHY-UHFFFAOYSA-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