General Information of the Compound
| Compound ID |
CP0569034
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| Compound Name |
dicyclopentyl (2R)-2-[[(2S)-3-methyl-2-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]acetyl]amino]butanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C37H47N3O7
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| Molecular Weight |
645.797
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| Canonical SMILES |
CC(C)[C@H](NC(=O)CNC(=O)\C=C\c1cccc(c1)-c1ccccc1)C(=O)N[C@H](CCC(=O)OC1CCCC1)C(=O)OC1CCCC1
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| InChI |
InChI=1S/C37H47N3O7/c1-25(2)35(40-33(42)24-38-32(41)21-19-26-11-10-14-28(23-26)27-12-4-3-5-13-27)36(44)39-31(37(45)47-30-17-8-9-18-30)20-22-34(43)46-29-15-6-7-16-29/h3-5,10-14,19,21,23,25,29-31,35H,6-9,15-18,20,22,24H2,1-2H3,(H,38,41)(H,39,44)(H,40,42)/b21-19+/t31-,35+/m1/s1
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| InChIKey |
HTTLKBNLVSOFCR-QFDQERAOSA-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