General Information of the Compound
| Compound ID |
CP0090035
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| Compound Name |
3-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
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| Structure |
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| Formula |
C19H17N5O
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| Molecular Weight |
331.379
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| Canonical SMILES |
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4COCC4C3)c12
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| InChI |
InChI=1S/C19H17N5O/c20-5-12-2-1-3-13(4-12)16-6-21-18-17(16)19(23-11-22-18)24-7-14-9-25-10-15(14)8-24/h1-4,6,11,14-15H,7-10H2,(H,21,22,23)
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| InChIKey |
PUDGRYROTGFBGN-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