General Information of the Compound
| Compound ID |
CP0447246
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| Compound Name |
1-(1-adamantylmethyl)-3-cyano-2-(pyridin-2-ylmethyl)guanidine
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| Structure |
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| Formula |
C19H25N5
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| Molecular Weight |
323.444
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| Canonical SMILES |
N#C\N=C(\NCc1ccccn1)NCC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C19H25N5/c20-13-24-18(22-11-17-3-1-2-4-21-17)23-12-19-8-14-5-15(9-19)7-16(6-14)10-19/h1-4,14-16H,5-12H2,(H2,22,23,24)
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| InChIKey |
HIHBRAWDFBIBNF-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