General Information of the Compound
| Compound ID |
CP0318465
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| Compound Name |
2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
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| Structure |
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| Formula |
C17H15N9O
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| Molecular Weight |
361.369
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| Canonical SMILES |
OCCn1cc(cn1)-c1cnc2nnn(Cc3c[nH]c4ncccc34)c2n1
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| InChI |
InChI=1S/C17H15N9O/c27-5-4-25-9-12(7-21-25)14-8-20-16-17(22-14)26(24-23-16)10-11-6-19-15-13(11)2-1-3-18-15/h1-3,6-9,27H,4-5,10H2,(H,18,19)
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| InChIKey |
RZHXWRMPIDZVPI-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