General Information of the Compound
| Compound ID |
CP0572494
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| Compound Name |
N-[3-[2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-2-oxoethyl]-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl]-2-methyl-4-(naphthalen-2-ylamino)benzamide
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| Structure |
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| Formula |
C31H31N5O7
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| Molecular Weight |
585.617
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| Canonical SMILES |
CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O
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| InChI |
InChI=1S/C31H31N5O7/c1-17(2)35-15-25(29(40)36(31(35)42)16-26(37)33-24-14-27(38)43-30(24)41)34-28(39)23-11-10-21(12-18(23)3)32-22-9-8-19-6-4-5-7-20(19)13-22/h4-13,15,17,24,30,32,41H,14,16H2,1-3H3,(H,33,37)(H,34,39)/t24-,30?/m0/s1
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| InChIKey |
PFAHWTBDHYAREP-YJJLJQPASA-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