General Information of the Compound
| Compound ID |
CP0382887
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| Compound Name |
1-(2-anilinoethyl)-3-cyano-2-[[(1R,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methyl]guanidine
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| Structure |
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| Formula |
C19H25N7
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| Molecular Weight |
351.458
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| Canonical SMILES |
N#C\N=C(\NCCNc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1
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| InChI |
InChI=1S/C19H25N7/c20-13-25-19(23-9-8-22-17-4-2-1-3-5-17)24-11-15-6-7-16(10-15)18-12-21-14-26-18/h1-5,12,14-16,22H,6-11H2,(H,21,26)(H2,23,24,25)/t15-,16+/m1/s1
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| InChIKey |
LCBPUNVUNNLUJQ-CVEARBPZSA-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