General Information of the Compound
| Compound ID |
CP0866211
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| Compound Name |
(1,2-cis-2,3-cis-3,4-cis)-1,3-Bis(((4-cyclopentanecarbonyl)amino)-benzamido)-2,4-bis(3-methoxy-4-(thiophene-2-carbonyloxy)-phenyl)cyclobutane-1,3-dicarboxylic Acid
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| Formula |
C56H52N4O14S2
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| Molecular Weight |
1069.18
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| Canonical SMILES |
COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)C4CCCC4)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)c4cccs4)c(OC)c3)[C@@]2(NC(=O)c2ccc(NC(=O)C3CCCC3)cc2)C(=O)O)ccc1OC(=O)c1cccs1
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| InChI |
InChI=1S/C56H52N4O14S2/c1-71-41-29-35(19-25-39(41)73-51(65)43-13-7-27-75-43)45-55(53(67)68,59-49(63)33-15-21-37(22-16-33)57-47(61)31-9-3-4-10-31)46(36-20-26-40(42(30-36)72-2)74-52(66)44-14-8-28-76-44)56(45,54(69)70)60-50(64)34-17-23-38(24-18-34)58-48(62)32-11-5-6-12-32/h7-8,13-32,45-46H,3-6,9-12H2,1-2H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H,67,68)(H,69,70)/t45-,46+,55-,56-
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| InChIKey |
NEGLAHVNMIDVPL-BLDBZDEWSA-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