General Information of the Compound
| Compound ID |
CP0712020
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| Compound Name |
SID26732535
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| Structure |
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| Formula |
C31H38N4O6
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| Molecular Weight |
562.667
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| Canonical SMILES |
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C31H38N4O6/c1-30(2,3)40-28(38)22(17-20-13-9-7-10-14-20)34-26(36)24-25(33-19-32-24)27(37)35-23(29(39)41-31(4,5)6)18-21-15-11-8-12-16-21/h7-16,19,22-23H,17-18H2,1-6H3,(H,32,33)(H,34,36)(H,35,37)/t22-,23-/m0/s1
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| InChIKey |
JJOJBADKVUQOSE-GOTSBHOMSA-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