General Information of the Compound
| Compound ID |
CP0015127
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| Compound Name |
N,N-Dimethyl-2-[6-[5-(trifluoromethyl)-2-thienyl]pyrrolo[3,2-
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| Structure |
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| Formula |
C16H14F3N3OS
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| Molecular Weight |
353.369
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| Canonical SMILES |
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F
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| InChI |
InChI=1S/C16H14F3N3OS/c1-21(2)15(23)9-22-6-5-11-12(22)7-10(8-20-11)13-3-4-14(24-13)16(17,18)19/h3-8H,9H2,1-2H3
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| InChIKey |
LPFCXGVNLRXWCM-UHFFFAOYSA-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