General Information of the Compound
| Compound ID |
CP0488460
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| Compound Name |
dicyclopentyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(4-dodecanoyloxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C44H67N3O10
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| Molecular Weight |
798.031
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| Canonical SMILES |
CCCCCCCCCCCC(=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/C44H67N3O10/c1-5-6-7-8-9-10-11-12-13-22-40(50)57-36-26-23-32(29-37(36)54-4)24-27-38(48)45-30-39(49)47-42(31(2)3)43(52)46-35(44(53)56-34-20-16-17-21-34)25-28-41(51)55-33-18-14-15-19-33/h23-24,26-27,29,31,33-35,42H,5-22,25,28,30H2,1-4H3,(H,45,48)(H,46,52)(H,47,49)/b27-24+/t35-,42+/m1/s1
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| InChIKey |
PRHYWPYCAPCPGB-KMZCYJJDSA-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