General Information of the Compound
| Compound ID |
CP0772437
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| Compound Name |
2-(4-(4-cyclopropylpiperidine-1-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C18H20N6O2
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| Molecular Weight |
352.398
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| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(C2CC2)CC1
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| InChI |
InChI=1S/C18H20N6O2/c25-16-15-2-1-7-23(15)21-18(20-16)24-11-14(10-19-24)17(26)22-8-5-13(6-9-22)12-3-4-12/h1-2,7,10-13H,3-6,8-9H2,(H,20,21,25)
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| InChIKey |
YTPUDYSMDYNAQR-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