General Information of the Compound
| Compound ID |
CP0463754
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| Compound Name |
2-{4-[2-(2,4-Diamino-6,7-dihydro-5H-cyclopentapyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C21H25N5O5
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| Molecular Weight |
427.461
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| Canonical SMILES |
Nc1nc2CCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(N)n1
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| InChI |
InChI=1S/C21H25N5O5/c22-18-17-12(7-8-14(17)25-21(23)26-18)4-1-11-2-5-13(6-3-11)19(29)24-15(20(30)31)9-10-16(27)28/h2-3,5-6,12,15H,1,4,7-10H2,(H,24,29)(H,27,28)(H,30,31)(H4,22,23,25,26)
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| InChIKey |
DSEABRSLDYUZCE-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