General Information of the Compound
| Compound ID |
CP0857895
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| Compound Name |
N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[(5R,8R)-8-(1H-indol-3-ylmethyl)-8-methyl-7,10-dioxo-1,2-dithia-6,9-diaza-cyclotetradecane-5-carbonyl]-amino}-succinamic acid
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| Structure |
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| Formula |
C34H42N6O7S2
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| Molecular Weight |
710.879
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| Canonical SMILES |
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O
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| InChI |
InChI=1S/C34H42N6O7S2/c1-34(19-22-20-36-24-12-6-5-11-23(22)24)33(47)39-25(14-16-49-48-15-8-7-13-28(41)40-34)31(45)38-27(18-29(42)43)32(46)37-26(30(35)44)17-21-9-3-2-4-10-21/h2-6,9-12,20,25-27,36H,7-8,13-19H2,1H3,(H2,35,44)(H,37,46)(H,38,45)(H,39,47)(H,40,41)(H,42,43)/t25-,26+,27+,34-/m1/s1
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| InChIKey |
JZBWOSXHOVOLBT-ZIZQKJAQSA-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