General Information of the Compound
| Compound ID |
CP0493624
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| Compound Name |
(R)-3-(2-(2-(4-(3,4-difluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C25H25ClF2N4O4
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| Molecular Weight |
518.948
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| Canonical SMILES |
CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)c(F)c3)C[C@H]2C)c(=O)c1=O
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| InChI |
InChI=1S/C25H25ClF2N4O4/c1-14-11-31(12-15-3-5-17(27)18(28)9-15)7-8-32(14)21(33)13-36-20-6-4-16(26)10-19(20)30-23-22(29-2)24(34)25(23)35/h3-6,9-10,14,29-30H,7-8,11-13H2,1-2H3/t14-/m1/s1
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| InChIKey |
OGDRYVXEJHZFBB-CQSZACIVSA-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