General Information of the Compound
| Compound ID |
CP0486839
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| Compound Name |
US9428456, 1.027
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| Structure |
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| Formula |
C28H34N4O2
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| Molecular Weight |
458.606
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3c[nH]c4ccccc34)c2)CC1
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| InChI |
InChI=1S/C28H34N4O2/c33-27(30-22-8-2-1-3-9-22)21-13-15-32(16-14-21)19-20-7-6-10-23(17-20)31-28(34)25-18-29-26-12-5-4-11-24(25)26/h4-7,10-12,17-18,21-22,29H,1-3,8-9,13-16,19H2,(H,30,33)(H,31,34)
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| InChIKey |
CONQIUXVPYTREV-UHFFFAOYSA-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