General Information of the Compound
| Compound ID |
CP0388548
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| Compound Name |
2-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)ethanol
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| Structure |
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| Formula |
C21H21N7O3
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| Molecular Weight |
419.445
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| Canonical SMILES |
Nc1nc2n(CCCc3ccc(OCCO)cc3)ncc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C21H21N7O3/c22-21-25-19-16(20-24-18(26-28(20)21)17-4-2-11-31-17)13-23-27(19)9-1-3-14-5-7-15(8-6-14)30-12-10-29/h2,4-8,11,13,29H,1,3,9-10,12H2,(H2,22,25)
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| InChIKey |
UVXNFUBZBAQNOK-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