General Information of the Compound
| Compound ID |
CP0543552
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| Compound Name |
dicyclopentyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C32H45N3O9
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| Molecular Weight |
615.724
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| Canonical SMILES |
COc1cc(\C=C\C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCC(=O)OC2CCCC2)C(=O)OC2CCCC2)ccc1O
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| InChI |
InChI=1S/C32H45N3O9/c1-20(2)30(35-28(38)19-33-27(37)16-13-21-12-15-25(36)26(18-21)42-3)31(40)34-24(32(41)44-23-10-6-7-11-23)14-17-29(39)43-22-8-4-5-9-22/h12-13,15-16,18,20,22-24,30,36H,4-11,14,17,19H2,1-3H3,(H,33,37)(H,34,40)(H,35,38)/b16-13+/t24-,30+/m1/s1
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| InChIKey |
VWOXYAUKDWVZSQ-TXUKNXKUSA-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