General Information of the Compound
| Compound ID |
CP0518785
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| Compound Name |
(8S,11S,14S,17S)-14-benzyl-10-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-12,15-dioxo-2-oxa-5,6,7,10,13,16-hexazatetracyclo[17.2.2.14,7.18,11]pentacosa-1(22),4(25),5,19(23),20-pentaene-17-carboxylic acid
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| Structure |
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| Formula |
C35H44N8O7
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| Molecular Weight |
688.786
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc3cn2nn3)cc1)C(O)=O
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| InChI |
InChI=1S/C35H44N8O7/c1-20(2)30(39-31(44)21(3)36-4)34(47)42-18-25-16-29(42)33(46)37-27(14-22-8-6-5-7-9-22)32(45)38-28(35(48)49)15-23-10-12-26(13-11-23)50-19-24-17-43(25)41-40-24/h5-13,17,20-21,25,27-30,36H,14-16,18-19H2,1-4H3,(H,37,46)(H,38,45)(H,39,44)(H,48,49)/t21-,25-,27-,28-,29-,30-/m0/s1
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| InChIKey |
KYRYMPQYDXQCLJ-JCHFQAAWSA-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