General Information of the Compound
Compound ID |
CP0495520
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Compound Name |
US9388162, 48
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Structure |
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Formula |
C30H37NO4
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Molecular Weight |
475.629
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Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@@H](CCOCc5ccccc5)C[C@@]34O)c2c1
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InChI |
InChI=1S/C30H37NO4/c1-34-25-10-9-23-15-28-30(33)17-24(11-14-35-20-22-5-3-2-4-6-22)27(32)18-29(30,26(23)16-25)12-13-31(28)19-21-7-8-21/h2-6,9-10,16,21,24,28,33H,7-8,11-15,17-20H2,1H3/t24-,28+,29+,30+/m0/s1
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InChIKey |
KYHDFAGHHSCKRP-PBNZBDRISA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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