General Information of the Compound
| Compound ID |
CP0441249
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| Compound Name |
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methylindol-3-yl)acetamide
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| Structure |
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| Formula |
C31H36N4O6S2
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| Molecular Weight |
624.785
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| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O
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| InChI |
InChI=1S/C31H36N4O6S2/c1-20-16-35(21(2)19-36)31(38)25-15-23(32-29(37)14-22-17-33(3)26-9-6-5-8-24(22)26)11-12-27(25)41-28(20)18-34(4)43(39,40)30-10-7-13-42-30/h5-13,15,17,20-21,28,36H,14,16,18-19H2,1-4H3,(H,32,37)/t20-,21-,28+/m1/s1
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| InChIKey |
JPZMYZYMPPFYAW-CJYOKPGZSA-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