General Information of the Compound
| Compound ID |
CP0920715
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| Compound Name |
5-(3-Chlorophenyl)-3-ureidothiophene-2-carboxylic Acid(S)-Piperidin-3-ylamide Hydrochloride
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| Structure |
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| Formula |
C17H20Cl2N4O2S
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| Molecular Weight |
415.346
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| Canonical SMILES |
Cl.NC(=O)Nc1cc(-c2cccc(Cl)c2)sc1C(=O)N[C@H]1CCCNC1
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| InChI |
InChI=1S/C17H19ClN4O2S.ClH/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12;/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24);1H/t12-;/m0./s1
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| InChIKey |
NIOFUMBFHRRUHL-YDALLXLXSA-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