General Information of the Compound
| Compound ID |
CP0233089
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| Compound Name |
N-pyrimidin-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 |
C13H12N6S
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| Molecular Weight |
284.348
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| Canonical SMILES |
C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1
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| InChI |
InChI=1S/C13H12N6S/c1-3-9-8(7-16-19-9)11-10(4-1)20-13(17-11)18-12-14-5-2-6-15-12/h2,5-7H,1,3-4H2,(H,16,19)(H,14,15,17,18)
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| InChIKey |
HYJWPTWQMAYKAM-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