General Information of the Compound
| Compound ID |
CP0482583
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| Compound Name |
1-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3,4-dimethyl-2H-pyrrol-5-one
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| Structure |
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| Formula |
C30H38FN5O2
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| Molecular Weight |
519.665
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| Canonical SMILES |
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CC(C)=C(C)C2=O)CN1
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| InChI |
InChI=1S/C30H38FN5O2/c1-19-14-35(29(38)21(19)3)16-25-13-32-20(2)15-34(25)17-27(37)36-18-30(4,5)28-26(36)11-23(12-33-28)10-22-6-8-24(31)9-7-22/h6-9,11-12,20,25,32H,10,13-18H2,1-5H3/t20-,25-/m1/s1
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| InChIKey |
OZQNQMWPZQARPO-CJFMBICVSA-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: PT01191, Baculoviral IAP repeat-containing protein 2
Protein ID: PT01001, E3 ubiquitin-protein ligase XIAP