General Information of the Compound
| Compound ID |
CP0471131
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| Compound Name |
2-(1-adamantylmethyl)-1-cyano-3-quinolin-5-ylguanidine
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| Structure |
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| Formula |
C22H25N5
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| Molecular Weight |
359.477
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| Canonical SMILES |
N#C\N=C(/NCC12CC3CC(CC(C3)C1)C2)Nc1cccc2ncccc12
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| InChI |
InChI=1S/C22H25N5/c23-14-26-21(27-20-5-1-4-19-18(20)3-2-6-24-19)25-13-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17H,7-13H2,(H2,25,26,27)
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| InChIKey |
ZPOOFQOATBKNCG-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