General Information of the Compound
| Compound ID |
CP0921506
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| Compound Name |
SID85201744
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| Structure |
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| Formula |
C36H41N3O5S
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| Molecular Weight |
627.807
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1
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| InChI |
InChI=1S/C36H41N3O5S/c1-25-10-17-32(18-11-25)45(42,43)37-31-16-19-34-33(20-31)36(41)39(27(3)24-40)21-26(2)35(44-34)23-38(4)22-28-12-14-30(15-13-28)29-8-6-5-7-9-29/h5-20,26-27,35,37,40H,21-24H2,1-4H3/t26-,27+,35+/m0/s1
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| InChIKey |
RKFPRZNLXVJUNG-FQWYTPLZSA-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: PT06172, Mothers against decapentaplegic homolog 3