General Information of the Compound
| Compound ID |
CP0562590
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| Compound Name |
(R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(2-(pyrrolidin-1-yl)ethylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C30H35ClFN5O4
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| Molecular Weight |
584.092
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCCC2)c(=O)c1=O
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| InChI |
InChI=1S/C30H35ClFN5O4/c1-20-17-36(18-21-4-7-23(32)8-5-21)14-15-37(20)26(38)19-41-25-9-6-22(31)16-24(25)34-28-27(29(39)30(28)40)33-10-13-35-11-2-3-12-35/h4-9,16,20,33-34H,2-3,10-15,17-19H2,1H3/t20-/m1/s1
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| InChIKey |
GDUQGKWTKQKBSP-HXUWFJFHSA-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