General Information of the Compound
| Compound ID |
CP0501305
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| Compound Name |
N-(6-pyrrolidin-1-ylpyridin-2-yl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
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| Structure |
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| Formula |
C18H20N6S
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| Molecular Weight |
352.467
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| Canonical SMILES |
C1CCN(C1)c1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
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| InChI |
InChI=1S/C18H20N6S/c1-2-10-24(9-1)16-8-4-7-15(20-16)21-18-22-17-12-11-19-23-13(12)5-3-6-14(17)25-18/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,23)(H,20,21,22)
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| InChIKey |
YLHPKBZVQSDZJT-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