General Information of the Compound
| Compound ID |
CP0468065
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| Compound Name |
1-(1-adamantylmethyl)-3-cyano-2-[(3-fluorophenyl)methyl]guanidine
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| Structure |
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| Formula |
C20H25FN4
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| Molecular Weight |
340.446
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| Canonical SMILES |
Fc1cccc(CN\C(NCC23CC4CC(CC(C4)C2)C3)=N\C#N)c1
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| InChI |
InChI=1S/C20H25FN4/c21-18-3-1-2-14(7-18)11-23-19(25-13-22)24-12-20-8-15-4-16(9-20)6-17(5-15)10-20/h1-3,7,15-17H,4-6,8-12H2,(H2,23,24,25)
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| InChIKey |
MZSHJRMXIAPGID-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