General Information of the Compound
| Compound ID |
CP0931529
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| Compound Name |
SID87540185
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| Structure |
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| Formula |
C37H56N4O6
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| Molecular Weight |
652.877
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1
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| InChI |
InChI=1S/C37H56N4O6/c1-26-22-41(27(2)25-42)36(43)33-21-31(39-37(44)38-30-14-17-32(45-5)18-15-30)16-19-34(33)47-28(3)11-9-10-20-46-35(26)24-40(4)23-29-12-7-6-8-13-29/h14-19,21,26-29,35,42H,6-13,20,22-25H2,1-5H3,(H2,38,39,44)/t26-,27+,28-,35-/m1/s1
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| InChIKey |
BACUFSHCHJQBQC-PQKZQXQFSA-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