General Information of the Compound
| Compound ID |
CP0961346
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| Compound Name |
US8921559, 12
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| Structure |
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| Formula |
C33H40N4O2
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| Molecular Weight |
524.709
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1
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| InChI |
InChI=1S/C33H40N4O2/c34-33(39)32(36-27-13-11-24(12-14-27)29-21-35-30-7-2-1-6-28(29)30)25-16-18-37(19-17-25)31(38)15-9-22-8-10-23-4-3-5-26(23)20-22/h1-2,6-10,15,20-21,24-25,27,32,35-36H,3-5,11-14,16-19H2,(H2,34,39)/b15-9+
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| InChIKey |
OBGIUBNIGRGTBL-OQLLNIDSSA-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