General Information of the Compound
| Compound ID |
CP0140439
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| Compound Name |
(2S)-2-[3-[4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C23H25ClN8O2
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| Molecular Weight |
480.96
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| Canonical SMILES |
Cl.COc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2noc(n2)[C@@H]2CCCN2C(N)=N)nn1
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| InChI |
InChI=1S/C23H24N8O2.ClH/c1-32-18-10-8-16(9-11-18)19-14-30(29-27-19)13-15-4-6-17(7-5-15)21-26-22(33-28-21)20-3-2-12-31(20)23(24)25;/h4-11,14,20H,2-3,12-13H2,1H3,(H3,24,25);1H/t20-;/m0./s1
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| InChIKey |
HBVPHQOLZSWONR-BDQAORGHSA-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