General Information of the Compound
| Compound ID |
CP0573271
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| Compound Name |
CHEMBL5084780
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| Formula |
C18H20N6O
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| Molecular Weight |
336.399
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| Canonical SMILES |
C1[C@@H](C[C@@H]1n1cccn1)Oc1cc(ncn1)[C@H]1C[C@@H](C1)n1cccn1
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| InChI |
InChI=1S/C18H20N6O/c1-3-21-23(5-1)14-7-13(8-14)17-11-18(20-12-19-17)25-16-9-15(10-16)24-6-2-4-22-24/h1-6,11-16H,7-10H2/t13-,14-,15-,16+
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| InChIKey |
JJCBRKGWRLYBKK-ZNNBLSDJSA-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