General Information of the Compound
| Compound ID |
CP0920714
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| Compound Name |
5-(2,4-Difluorophenyl)-2-ureidothiophene-3-carboxylic Acid(S)-Piperidin-3-ylamide Hydrochloride
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| Structure |
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| Formula |
C17H19ClF2N4O2S
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| Molecular Weight |
416.881
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| Canonical SMILES |
Cl.NC(=O)Nc1sc(-c2ccc(F)cc2F)cc1C(=O)N[C@H]1CCCNC1
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| InChI |
InChI=1S/C17H18F2N4O2S.ClH/c18-9-3-4-11(13(19)6-9)14-7-12(16(26-14)23-17(20)25)15(24)22-10-2-1-5-21-8-10;/h3-4,6-7,10,21H,1-2,5,8H2,(H,22,24)(H3,20,23,25);1H/t10-;/m0./s1
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| InChIKey |
IEAZEBBQYPXDKY-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