General Information of the Compound
| Compound ID |
CP0954680
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| Compound Name |
US8921559, 34
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| Structure |
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| Formula |
C34H42N4O3
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| Molecular Weight |
554.735
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| Canonical SMILES |
CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1
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| InChI |
InChI=1S/C34H42N4O3/c1-34(2)20-25-19-22(7-13-30(25)41-34)8-14-31(39)38-17-15-24(16-18-38)32(33(35)40)37-26-11-9-23(10-12-26)28-21-36-29-6-4-3-5-27(28)29/h3-8,13-14,19,21,23-24,26,32,36-37H,9-12,15-18,20H2,1-2H3,(H2,35,40)/b14-8+
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| InChIKey |
GGIPSJODRAGBRA-RIYZIHGNSA-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