General Information of the Compound
| Compound ID |
CP0421853
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| Compound Name |
(R)-3-(5-chloro-2-(2-(4-((5-chlorothiophen-2-yl)methyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C23H24Cl2N4O4S
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| Molecular Weight |
523.442
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| Canonical SMILES |
CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]2C)c(=O)c1=O
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| InChI |
InChI=1S/C23H24Cl2N4O4S/c1-13-10-28(11-15-4-6-18(25)34-15)7-8-29(13)19(30)12-33-17-5-3-14(24)9-16(17)27-21-20(26-2)22(31)23(21)32/h3-6,9,13,26-27H,7-8,10-12H2,1-2H3/t13-/m1/s1
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| InChIKey |
GAUUVSZLVNCKGO-CYBMUJFWSA-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