General Information of the Compound
| Compound ID |
CP0447503
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| Compound Name |
6-(4-methoxyphenyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C17H18N6OS
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| Molecular Weight |
354.439
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| Canonical SMILES |
COc1ccc(cc1)C1CSc2nnc(-c3[nH]nc4CCCc34)n2N1
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| InChI |
InChI=1S/C17H18N6OS/c1-24-11-7-5-10(6-8-11)14-9-25-17-21-20-16(23(17)22-14)15-12-3-2-4-13(12)18-19-15/h5-8,14,22H,2-4,9H2,1H3,(H,18,19)
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| InChIKey |
NLLNVXXGIMOXRQ-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