General Information of the Compound
| Compound ID |
CP0571595
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| Compound Name |
CHEMBL4059744
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| Formula |
C13H16N6O
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| Molecular Weight |
272.312
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| Canonical SMILES |
Nc1nc(N[C@H]2CC[C@H](O)CC2)c2c(c[nH]c2n1)C#N
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| InChI |
InChI=1S/C13H16N6O/c14-5-7-6-16-11-10(7)12(19-13(15)18-11)17-8-1-3-9(20)4-2-8/h6,8-9,20H,1-4H2,(H4,15,16,17,18,19)/t8-,9-
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| InChIKey |
RJROSYGGAKJFIO-KYZUINATSA-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