General Information of the Compound
| Compound ID |
CP0557334
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| Compound Name |
(2S)-2-[3-[4-[(4-butyltriazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
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| Formula |
C20H27ClN8O
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| Molecular Weight |
430.944
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| Canonical SMILES |
Cl.CCCCc1cn(Cc2ccc(cc2)-c2noc(n2)[C@@H]2CCCN2C(N)=N)nn1
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| InChI |
InChI=1S/C20H26N8O.ClH/c1-2-3-5-16-13-27(26-24-16)12-14-7-9-15(10-8-14)18-23-19(29-25-18)17-6-4-11-28(17)20(21)22;/h7-10,13,17H,2-6,11-12H2,1H3,(H3,21,22);1H/t17-;/m0./s1
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| InChIKey |
XARDWBDKXMUSLM-LMOVPXPDSA-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