General Information of the Compound
| Compound ID |
CP0319912
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| Compound Name |
1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C23H21N9O
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| Molecular Weight |
439.483
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| Canonical SMILES |
O=C1CCCN1CCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C23H21N9O/c33-21-4-2-8-30(21)9-10-31-15-18(12-26-31)20-13-25-22-23(27-20)32(29-28-22)14-16-5-6-19-17(11-16)3-1-7-24-19/h1,3,5-7,11-13,15H,2,4,8-10,14H2
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| InChIKey |
MZJGVMSBISATEQ-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