General Information of the Compound
| Compound ID |
CP0413852
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| Compound Name |
(1R,2R)-2-[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]-1-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C28H28N2O8S
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| Molecular Weight |
552.605
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| Canonical SMILES |
COc1cc(ccc1OC(=O)c1cccs1)[C@H]1C[C@]1(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(O)=O
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| InChI |
InChI=1S/C28H28N2O8S/c1-27(2,3)38-26(35)29-18-10-7-16(8-11-18)23(31)30-28(25(33)34)15-19(28)17-9-12-20(21(14-17)36-4)37-24(32)22-6-5-13-39-22/h5-14,19H,15H2,1-4H3,(H,29,35)(H,30,31)(H,33,34)/t19-,28-/m1/s1
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| InChIKey |
LBOBTSAFAAPCBZ-WHLCRQNOSA-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