General Information of the Compound
| Compound ID |
CP0404988
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| Compound Name |
2-((R)-4-Carboxy-4-dodecanamidobutanamido)heptanedioic Acid
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| Structure |
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| Formula |
C24H42N2O8
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| Molecular Weight |
486.606
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| Canonical SMILES |
CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCCC(O)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C24H42N2O8/c1-2-3-4-5-6-7-8-9-10-14-20(27)26-19(24(33)34)16-17-21(28)25-18(23(31)32)13-11-12-15-22(29)30/h18-19H,2-17H2,1H3,(H,25,28)(H,26,27)(H,29,30)(H,31,32)(H,33,34)/t18?,19-/m1/s1
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| InChIKey |
IKKIXDYQQGBUFD-MUMRKEEXSA-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