General Information of the Compound
| Compound ID |
CP0659380
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| Compound Name |
S-(2-guanidylethyl)-isothiourea dihydrobromide
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| Structure |
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| Formula |
C4H12BrN5S
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| Molecular Weight |
242.146
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| Canonical SMILES |
Br.N=C(N)NCCSC(=N)N
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| InChI |
InChI=1S/C4H11N5S.BrH/c5-3(6)9-1-2-10-4(7)8;/h1-2H2,(H3,7,8)(H4,5,6,9);1H
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| InChIKey |
IWTDNEMUIUNTEA-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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