General Information of the Compound
| Compound ID |
CP0671760
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| Compound Name |
Nizatidine
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| Structure |
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| Formula |
C12H21N5O2S2
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| Molecular Weight |
331.467
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| Canonical SMILES |
CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
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| InChI |
InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3
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| InChIKey |
SGXXNSQHWDMGGP-UHFFFAOYSA-N
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| CAS |
76963-41-2
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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