General Information of the Compound
| Compound ID |
CP0781464
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| Compound Name |
SID26732655
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| Structure |
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| Formula |
C32H48N6O8
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| Molecular Weight |
644.77
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C32H48N6O8/c1-30(2,3)44-27(41)22(12-10-11-17-33-28(42)45-31(4,5)6)38-26(40)24-23(35-19-36-24)25(39)37-21-15-13-20(14-16-21)18-34-29(43)46-32(7,8)9/h13-16,19,22H,10-12,17-18H2,1-9H3,(H,33,42)(H,34,43)(H,35,36)(H,37,39)(H,38,40)/t22-/m0/s1
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| InChIKey |
BTFNNDYCQMKLSJ-QFIPXVFZSA-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