General Information of the Compound
| Compound ID |
CP0157841
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| Compound Name |
CHEMBL2392490
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| Formula |
C18H19N7
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| Molecular Weight |
333.399
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| Canonical SMILES |
C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1cccnc1
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| InChI |
InChI=1S/C18H19N7/c1-2-13(10-19-6-1)12-24-8-4-14(5-9-24)25-17-15-3-7-20-18(15)21-11-16(17)22-23-25/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,20,21)
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| InChIKey |
LCRYPUUOTORNEW-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