General Information of the Compound
| Compound ID |
CP0886570
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| Compound Name |
SID85200367
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| Structure |
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| Formula |
C38H49N3O7
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| Molecular Weight |
659.824
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| Canonical SMILES |
C=CC[C@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)N[C@@H](COC(=O)[C@H](CC=C)CC(=O)OC(C)(C)C)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C38H49N3O7/c1-6-13-28(22-34(43)41(19-20-42)25-27-15-9-8-10-16-27)36(45)40-31(21-30-24-39-33-18-12-11-17-32(30)33)26-47-37(46)29(14-7-2)23-35(44)48-38(3,4)5/h6-12,15-18,24,28-29,31,39,42H,1-2,13-14,19-23,25-26H2,3-5H3,(H,40,45)/t28-,29-,31-/m1/s1
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| InChIKey |
MLBVZRDRDGIHKH-QPWMFTQFSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8