General Information of the Compound
| Compound ID |
CP0757523
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| Compound Name |
N1-(3-Phenylbutanoyl)-N2-[3-(1H-pyrazol-4-yl)propyl]guanidine
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| Structure |
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| Formula |
C17H23N5O
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| Molecular Weight |
313.405
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| Canonical SMILES |
CC(CC(=O)/N=C(\N)NCCCc1cn[nH]c1)c1ccccc1
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| InChI |
InChI=1S/C17H23N5O/c1-13(15-7-3-2-4-8-15)10-16(23)22-17(18)19-9-5-6-14-11-20-21-12-14/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,20,21)(H3,18,19,22,23)
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| InChIKey |
PNIRYPLJVRYNAS-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