General Information of the Compound
| Compound ID |
CP0578401
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(oxan-2-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione
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| Structure |
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| Formula |
C23H27N5OS
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| Molecular Weight |
421.57
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| Canonical SMILES |
S=c1cc(CC2CCCCO2)[nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn12
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| InChI |
InChI=1S/C23H27N5OS/c30-20-13-16(12-17-7-1-2-10-29-17)24-23-26-22(27-28(20)23)25-21-18-8-3-5-14(18)11-15-6-4-9-19(15)21/h11,13,17H,1-10,12H2,(H2,24,25,26,27)
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| InChIKey |
YDJJCVMHTGJPTQ-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