General Information of the Compound
| Compound ID |
CP0579764
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| Compound Name |
2-[[5-chloro-2-[4-[[[2-[2-[(2-chloroacetyl)amino]ethylamino]-3,4-dioxocyclobuten-1-yl]amino]methyl]anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Formula |
C27H26Cl2N8O4
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| Molecular Weight |
597.463
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)CCl)c(=O)c3=O)cc2)ncc1Cl
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| InChI |
InChI=1S/C27H26Cl2N8O4/c1-30-26(41)17-4-2-3-5-19(17)36-25-18(29)14-34-27(37-25)35-16-8-6-15(7-9-16)13-33-22-21(23(39)24(22)40)32-11-10-31-20(38)12-28/h2-9,14,32-33H,10-13H2,1H3,(H,30,41)(H,31,38)(H2,34,35,36,37)
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| InChIKey |
SWOGVFPKZAVELA-UHFFFAOYSA-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