General Information of the Compound
| Compound ID |
CP0421996
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| Compound Name |
4-(2-methoxyphenyl)-N-(3-(naphthalene-1-sulfonamido)propyl)piperazine-1-carboximidamide
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| Structure |
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| Formula |
C25H31N5O3S
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| Molecular Weight |
481.622
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(N)=NCCCNS(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H31N5O3S/c1-33-23-12-5-4-11-22(23)29-16-18-30(19-17-29)25(26)27-14-7-15-28-34(31,32)24-13-6-9-20-8-2-3-10-21(20)24/h2-6,8-13,28H,7,14-19H2,1H3,(H2,26,27)
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| InChIKey |
HBMLSWFKFNOFCI-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