General Information of the Compound
| Compound ID |
CP0359605
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| Compound Name |
CHEMBL2152420
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| Formula |
C17H20N6
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| Molecular Weight |
308.389
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| Canonical SMILES |
N#CCCN[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C17H20N6/c18-7-1-8-19-12-2-4-13(5-3-12)23-11-22-15-10-21-17-14(16(15)23)6-9-20-17/h6,9-13,19H,1-5,8H2,(H,20,21)/t12-,13-
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| InChIKey |
QEPIOWJTIVDGNQ-JOCQHMNTSA-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