General Information of the Compound
| Compound ID |
CP0502439
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| Compound Name |
4-(2-methoxyphenyl)-N-(N-(naphthalen-1-ylmethyl)carbamimidoyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)NC(N)=NCc1cccc2ccccc12
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| InChI |
InChI=1S/C24H27N5O2/c1-31-22-12-5-4-11-21(22)28-13-15-29(16-14-28)24(30)27-23(25)26-17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12H,13-17H2,1H3,(H3,25,26,27,30)
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| InChIKey |
JRLJFLWPLMJTPJ-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