General Information of the Compound
| Compound ID |
CP0552942
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| Compound Name |
N-cyclopentyl-4-(3-methylbutyl)-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
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| Structure |
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| Formula |
C20H25N5O2S
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| Molecular Weight |
399.52
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| Canonical SMILES |
CC(C)CCn1c2n[nH]c(=S)n2c2cc(ccc2c1=O)C(=O)NC1CCCC1
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| InChI |
InChI=1S/C20H25N5O2S/c1-12(2)9-10-24-18(27)15-8-7-13(17(26)21-14-5-3-4-6-14)11-16(15)25-19(24)22-23-20(25)28/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,21,26)(H,23,28)
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| InChIKey |
HNGRKHKTYDCKHH-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