General Information of the Compound
| Compound ID |
CP0939747
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| Compound Name |
3-[2-hydroxy-3-(4-methyl-[1,4]diazepane-1-carbonyl)-phenylamino]-4-phenylamino-cyclobut-3-ene-1,2-dione trifluoro-acetic acid salt
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| Structure |
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| Formula |
C25H25F3N4O6
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| Molecular Weight |
534.491
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| Canonical SMILES |
CN1CCCN(C(=O)c2cccc(Nc3c(Nc4ccccc4)c(=O)c3=O)c2O)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H24N4O4.C2HF3O2/c1-26-11-6-12-27(14-13-26)23(31)16-9-5-10-17(20(16)28)25-19-18(21(29)22(19)30)24-15-7-3-2-4-8-15;3-2(4,5)1(6)7/h2-5,7-10,24-25,28H,6,11-14H2,1H3;(H,6,7)
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| InChIKey |
SFWBZALCLSNQNV-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