General Information of the Compound
| Compound ID |
CP0213835
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| Compound Name |
7-(5-methylthiophen-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
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| Structure |
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| Formula |
C18H21N5S
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| Molecular Weight |
339.468
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| Canonical SMILES |
Cc1ccc(s1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1
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| InChI |
InChI=1S/C18H21N5S/c1-12-4-5-16(24-12)14-9-15-17(21-8-7-20-15)18(23-14)22-11-13-3-2-6-19-10-13/h4-5,7-9,13,19H,2-3,6,10-11H2,1H3,(H,22,23)/t13-/m0/s1
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| InChIKey |
PLLDNGSQDXHYQI-ZDUSSCGKSA-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