General Information of the Compound
| Compound ID |
CP0438355
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| Compound Name |
2-{4-[3-(2,4-Diamino-6,7-dihydro-5H-cyclopentapyrimidin-5-yl)-propyl]-benzoylamino}-pentanedioic acid
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| Structure |
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| Formula |
C22H27N5O5
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| Molecular Weight |
441.488
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| Canonical SMILES |
Nc1nc2CCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(N)n1
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| InChI |
InChI=1S/C22H27N5O5/c23-19-18-13(8-9-15(18)26-22(24)27-19)3-1-2-12-4-6-14(7-5-12)20(30)25-16(21(31)32)10-11-17(28)29/h4-7,13,16H,1-3,8-11H2,(H,25,30)(H,28,29)(H,31,32)(H4,23,24,26,27)
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| InChIKey |
DSPMDRAVVJOBBC-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