General Information of the Compound
| Compound ID |
CP0947196
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| Compound Name |
2-(4-(4-(5-(6-chloropyridin-3-yl)oxazol-2-yl)piperazine-1-carbonyl)-5-methyl-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C22H19ClN10O3
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| Molecular Weight |
506.914
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(c3ncc(-c4ccc(Cl)nc4)o3)CC2)nnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H19ClN10O3/c1-13-18(27-29-33(13)21-26-19(34)15-3-2-6-32(15)28-21)20(35)30-7-9-31(10-8-30)22-25-12-16(36-22)14-4-5-17(23)24-11-14/h2-6,11-12H,7-10H2,1H3,(H,26,28,34)
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| InChIKey |
TWZQIMBWBKNGCQ-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