General Information of the Compound
| Compound ID |
CP0904144
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| Compound Name |
1-{4-[2-(2-Amino-1,3-thiazol-4-yl)ethyl]phenyl}guanidine dihydrochloride
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| Structure |
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| Formula |
C12H17Cl2N5S
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| Molecular Weight |
334.276
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| Canonical SMILES |
Cl.Cl.N=C(N)Nc1ccc(CCc2csc(N)n2)cc1
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| InChI |
InChI=1S/C12H15N5S.2ClH/c13-11(14)16-9-4-1-8(2-5-9)3-6-10-7-18-12(15)17-10;;/h1-2,4-5,7H,3,6H2,(H2,15,17)(H4,13,14,16);2*1H
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| InChIKey |
SYCKLBKDGHMSEQ-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