General Information of the Compound
| Compound ID |
CP0847366
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| Compound Name |
5-(4-Cyanophenyl)-3-ureidothiophene-2-carboxylic Acid(S)-Piperidin-3-ylamide Hydrochloride
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| Structure |
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| Formula |
C18H20ClN5O2S
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| Molecular Weight |
405.911
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| Canonical SMILES |
Cl.N#Cc1ccc(-c2cc(NC(N)=O)c(C(=O)N[C@H]3CCCNC3)s2)cc1
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| InChI |
InChI=1S/C18H19N5O2S.ClH/c19-9-11-3-5-12(6-4-11)15-8-14(23-18(20)25)16(26-15)17(24)22-13-2-1-7-21-10-13;/h3-6,8,13,21H,1-2,7,10H2,(H,22,24)(H3,20,23,25);1H/t13-;/m0./s1
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| InChIKey |
WXWFZPHAZZLZQZ-ZOWNYOTGSA-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