General Information of the Compound
| Compound ID |
CP0505723
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| Compound Name |
2-((R)-4-Carboxy-4-dodecanamidobutanamido)-6-guanidinoheptanedioic Acid
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| Structure |
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| Formula |
C25H45N5O8
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| Molecular Weight |
543.662
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| Canonical SMILES |
CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCC(N=C(N)N)C(O)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C25H45N5O8/c1-2-3-4-5-6-7-8-9-10-14-20(31)29-19(24(37)38)15-16-21(32)28-17(22(33)34)12-11-13-18(23(35)36)30-25(26)27/h17-19H,2-16H2,1H3,(H,28,32)(H,29,31)(H,33,34)(H,35,36)(H,37,38)(H4,26,27,30)/t17?,18?,19-/m1/s1
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| InChIKey |
KNNHNZDBRYKYIB-CTWPCTMYSA-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