General Information of the Compound
| Compound ID |
CP0875788
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| Compound Name |
5-(2-Fluorophenyl)-2-ureidothiophene-3-carboxylic Acid(S)-Piperidin-3-ylamide Hydrochloride
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| Structure |
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| Formula |
C17H20ClFN4O2S
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| Molecular Weight |
398.891
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| Canonical SMILES |
Cl.NC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)N[C@H]1CCCNC1
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| InChI |
InChI=1S/C17H19FN4O2S.ClH/c18-13-6-2-1-5-11(13)14-8-12(16(25-14)22-17(19)24)15(23)21-10-4-3-7-20-9-10;/h1-2,5-6,8,10,20H,3-4,7,9H2,(H,21,23)(H3,19,22,24);1H/t10-;/m0./s1
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| InChIKey |
NBVPOQWINRCWPU-PPHPATTJSA-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