General Information of the Compound
| Compound ID |
CP0907622
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| Compound Name |
SID124755201
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| Structure |
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| Formula |
C34H37N3O6
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| Molecular Weight |
583.685
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| Canonical SMILES |
COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2
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| InChI |
InChI=1S/C34H37N3O6/c1-42-33(41)34-15-6-2-3-14-29(34)37(23-25-11-7-10-24-9-4-5-12-27(24)25)31(39)26(22-34)21-30(38)35-16-18-36(19-17-35)32(40)28-13-8-20-43-28/h4-5,7-14,20,26H,2-3,6,15-19,21-23H2,1H3/t26-,34+/m1/s1
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| InChIKey |
KCOGNDIKXGGLJJ-SFRLIIPVSA-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