General Information of the Compound
| Compound ID |
CP0539378
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| Compound Name |
2-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)-1,2,4-triazinane-3,5,6-trione
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| Structure |
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| Formula |
C12H11N5O3
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| Molecular Weight |
273.252
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| Canonical SMILES |
Oc1nn(CCn2ccc3cccnc23)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C12H11N5O3/c18-10-11(19)15-17(12(20)14-10)7-6-16-5-3-8-2-1-4-13-9(8)16/h1-5H,6-7H2,(H,15,19)(H,14,18,20)
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| InChIKey |
URYYPMNVNMBBJN-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