General Information of the Compound
| Compound ID |
CP0122118
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| Compound Name |
US9018214, 199
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| Structure |
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| Formula |
C28H35F2N5O2
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| Molecular Weight |
511.617
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| Canonical SMILES |
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2CCCC2=O)CN1
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| InChI |
InChI=1S/C28H35F2N5O2/c1-18-14-34(22(13-31-18)15-33-8-4-5-25(33)36)16-26(37)35-17-28(2,3)27-24(35)10-19(12-32-27)9-20-6-7-21(29)11-23(20)30/h6-7,10-12,18,22,31H,4-5,8-9,13-17H2,1-3H3/t18-,22-/m1/s1
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| InChIKey |
KQFUNDQLMXSEKE-XMSQKQJNSA-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