General Information of the Compound
| Compound ID |
CP0931895
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| Compound Name |
5-(3,5-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(-c2cc(F)cc(F)c2)cc1C(=O)N[C@H]1CCCNC1
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| InChI |
InChI=1S/C17H18F2N4O2S.ClH/c18-10-4-9(5-11(19)6-10)14-7-13(16(26-14)23-17(20)25)15(24)22-12-2-1-3-21-8-12;/h4-7,12,21H,1-3,8H2,(H,22,24)(H3,20,23,25);1H/t12-;/m0./s1
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| InChIKey |
XMHDPTOAXZGXSD-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