General Information of the Compound
| Compound ID |
CP0528309
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| Compound Name |
2-[2-[4-[(4-aminophenyl)methyl]-3-methylphenoxy]ethyl]-1-(diaminomethylidene)guanidine
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| Formula |
C18H24N6O
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| Molecular Weight |
340.431
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| Canonical SMILES |
Cc1cc(OCCNC(=N)NC(N)=N)ccc1Cc1ccc(N)cc1
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| InChI |
InChI=1S/C18H24N6O/c1-12-10-16(25-9-8-23-18(22)24-17(20)21)7-4-14(12)11-13-2-5-15(19)6-3-13/h2-7,10H,8-9,11,19H2,1H3,(H6,20,21,22,23,24)
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| InChIKey |
LCCWQAJGOLLZFG-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