General Information of the Compound
| Compound ID |
CP0957751
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-((3,5-dimethylisoxazole-4-carbonyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C36H43N5O15
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| Molecular Weight |
785.76
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(OCC(=O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1c(C)noc1C
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| InChI |
InChI=1S/C36H43N5O15/c1-5-7-8-9-22(25(6-2)41(18-42)56-36(52)31-19(3)40-55-20(31)4)32(47)37-17-38-34(49)27-13-12-26(54-27)21-10-11-23(28(14-21)53-16-30(45)46)33(48)39-24(35(50)51)15-29(43)44/h10-14,18,22,24-25H,5-9,15-17H2,1-4H3,(H,37,47)(H,38,49)(H,39,48)(H,43,44)(H,45,46)(H,50,51)/t22-,24+,25-/m1/s1
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| InChIKey |
SVVALUIHWTUZCG-PZUNEJSGSA-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