General Information of the Compound
| Compound ID |
CP0915922
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| Compound Name |
3-[4-chloro-3-(4-ethyl-piperazine-1-sulfonyl)-2-hydroxy-phenylamino]-4-(2-propyl-phenylamino)-cyclobut-3-ene-1,2-dione trifluoro-acetic acid salt
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| Structure |
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| Formula |
C27H30ClF3N4O7S
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| Molecular Weight |
647.072
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| Canonical SMILES |
CCCc1ccccc1Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N3CCN(CC)CC3)c2O)c(=O)c1=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H29ClN4O5S.C2HF3O2/c1-3-7-16-8-5-6-9-18(16)27-20-21(24(33)23(20)32)28-19-11-10-17(26)25(22(19)31)36(34,35)30-14-12-29(4-2)13-15-30;3-2(4,5)1(6)7/h5-6,8-11,27-28,31H,3-4,7,12-15H2,1-2H3;(H,6,7)
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| InChIKey |
YXBJLFSWJCMAHW-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