General Information of the Compound
| Compound ID |
CP0485414
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| Compound Name |
(R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(2-(dimethylamino)ethylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C28H33ClFN5O4
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| Molecular Weight |
558.054
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN(C)C)c(=O)c1=O
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| InChI |
InChI=1S/C28H33ClFN5O4/c1-18-15-34(16-19-4-7-21(30)8-5-19)12-13-35(18)24(36)17-39-23-9-6-20(29)14-22(23)32-26-25(27(37)28(26)38)31-10-11-33(2)3/h4-9,14,18,31-32H,10-13,15-17H2,1-3H3/t18-/m1/s1
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| InChIKey |
RGLLJHCUQKTKGW-GOSISDBHSA-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