General Information of the Compound
| Compound ID |
CP0497226
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| Compound Name |
3-(3-chlorophenylsulfonyl)-N-cyclopentylthieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C18H16ClN5O2S2
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| Molecular Weight |
433.946
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)c1nnn2c3ccsc3c(NC3CCCC3)nc12
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| InChI |
InChI=1S/C18H16ClN5O2S2/c19-11-4-3-7-13(10-11)28(25,26)18-17-21-16(20-12-5-1-2-6-12)15-14(8-9-27-15)24(17)23-22-18/h3-4,7-10,12H,1-2,5-6H2,(H,20,21)
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| InChIKey |
VCEFQCQJNOCBCT-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