General Information of the Compound
| Compound ID |
CP0451099
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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]-4-(naphthalen-2-ylamino)benzamide
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| Structure |
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| Formula |
C30H29N5O7
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| Molecular Weight |
571.59
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| Canonical SMILES |
CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O
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| InChI |
InChI=1S/C30H29N5O7/c1-17(2)34-15-24(28(39)35(30(34)41)16-25(36)32-23-14-26(37)42-29(23)40)33-27(38)19-8-10-21(11-9-19)31-22-12-7-18-5-3-4-6-20(18)13-22/h3-13,15,17,23,29,31,40H,14,16H2,1-2H3,(H,32,36)(H,33,38)/t23-,29?/m0/s1
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| InChIKey |
NZXOJGKUECLHSY-QASNXKAYSA-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