General Information of the Compound
| Compound ID |
CP0488461
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| Compound Name |
dicyclopentyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(3-methoxy-4-octadecanoyloxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C50H79N3O10
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| Molecular Weight |
882.193
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(\C=C\C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCC(=O)OC2CCCC2)C(=O)OC2CCCC2)cc1OC
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| InChI |
InChI=1S/C50H79N3O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-46(56)63-42-32-29-38(35-43(42)60-4)30-33-44(54)51-36-45(55)53-48(37(2)3)49(58)52-41(50(59)62-40-26-22-23-27-40)31-34-47(57)61-39-24-20-21-25-39/h29-30,32-33,35,37,39-41,48H,5-28,31,34,36H2,1-4H3,(H,51,54)(H,52,58)(H,53,55)/b33-30+/t41-,48+/m1/s1
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| InChIKey |
JWCHVHIFBCRRHV-NNSDYGCPSA-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