General Information of the Compound
| Compound ID |
CP0485080
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| Compound Name |
(R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C30H29ClFN5O4
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| Molecular Weight |
578.044
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccn2)c(=O)c1=O
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| InChI |
InChI=1S/C30H29ClFN5O4/c1-19-16-36(17-20-5-8-22(32)9-6-20)12-13-37(19)26(38)18-41-25-10-7-21(31)14-24(25)35-28-27(29(39)30(28)40)34-15-23-4-2-3-11-33-23/h2-11,14,19,34-35H,12-13,15-18H2,1H3/t19-/m1/s1
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| InChIKey |
UKLZWCUWYPDYAK-LJQANCHMSA-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