General Information of the Compound
| Compound ID |
CP0579857
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| Compound Name |
5-[(3-chlorophenyl)methyl]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C24H22ClN5O
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| Molecular Weight |
431.927
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| Canonical SMILES |
Clc1cccc(Cc2cc(=O)n3nc(Nc4c5CCCc5cc5CCCc45)nc3[nH]2)c1
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| InChI |
InChI=1S/C24H22ClN5O/c25-17-7-1-4-14(10-17)11-18-13-21(31)30-24(26-18)28-23(29-30)27-22-19-8-2-5-15(19)12-16-6-3-9-20(16)22/h1,4,7,10,12-13H,2-3,5-6,8-9,11H2,(H2,26,27,28,29)
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| InChIKey |
NOWHIQPWISHPQD-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