General Information of the Compound
| Compound ID |
CP0694234
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| Compound Name |
SID24831892
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| Structure |
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| Formula |
C21H25BF4N2OS
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| Molecular Weight |
440.315
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| Canonical SMILES |
CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1CC1CCCO1.F[B-](F)(F)F
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| InChI |
InChI=1S/C21H25N2OS.BF4/c1-15-11-17(12-16(2)23(15)14-18-7-6-10-24-18)13-21-22(3)19-8-4-5-9-20(19)25-21;2-1(3,4)5/h4-5,8-9,11-13,18H,6-7,10,14H2,1-3H3;/q+1;-1
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| InChIKey |
MXZIBCLJLZKLCH-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor