General Information of the Compound
| Compound ID |
CP0897512
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| Compound Name |
SID87349241
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| Structure |
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| Formula |
C36H37F3N4O4
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| Molecular Weight |
646.71
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| Canonical SMILES |
C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCCCC1
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| InChI |
InChI=1S/C36H37F3N4O4/c1-35-28(34(46)42-13-3-2-4-14-42)18-24(20-31(44)40-21-22-7-5-8-25(17-22)36(37,38)39)33(45)43(35)15-12-27-26-11-10-23(30-9-6-16-47-30)19-29(26)41-32(27)35/h5-11,16-17,19,24,28,41H,2-4,12-15,18,20-21H2,1H3,(H,40,44)/t24-,28-,35+/m1/s1
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| InChIKey |
LYVZKBMIGORCQG-WHMROJOYSA-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: PT06172, Mothers against decapentaplegic homolog 3