General Information of the Compound
| Compound ID |
CP0565884
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| Compound Name |
(2S,4R)-1-[(2S)-2-[[2-[2-[(4,9-dioxobenzo[f][1]benzofuran-2-carbonyl)amino]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
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| Formula |
C39H41N5O9S
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| Molecular Weight |
755.85
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| Canonical SMILES |
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCNC(=O)c2cc3c(o2)C(=O)c2ccccc2C3=O)C(C)(C)C)cc1
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| InChI |
InChI=1S/C39H41N5O9S/c1-21-34(54-20-42-21)23-11-9-22(10-12-23)17-41-36(49)28-15-24(45)18-44(28)38(51)35(39(2,3)4)43-30(46)19-52-14-13-40-37(50)29-16-27-31(47)25-7-5-6-8-26(25)32(48)33(27)53-29/h5-12,16,20,24,28,35,45H,13-15,17-19H2,1-4H3,(H,40,50)(H,41,49)(H,43,46)/t24-,28+,35-/m1/s1
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| InChIKey |
XXBDKRAMKXUYQB-MIKCHRSZSA-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