General Information of the Compound
| Compound ID |
CP0340166
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| Compound Name |
(3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C18H18N8
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| Molecular Weight |
346.398
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| Canonical SMILES |
N[C@@H]1CCN(C1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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| InChI |
InChI=1S/C18H18N8/c19-14-5-7-25(11-14)16-9-21-17-18(22-16)26(24-23-17)10-12-3-4-15-13(8-12)2-1-6-20-15/h1-4,6,8-9,14H,5,7,10-11,19H2/t14-/m1/s1
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| InChIKey |
MPTVBCUATPSHDI-CQSZACIVSA-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