General Information of the Compound
| Compound ID |
CP0357887
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| Compound Name |
US10501467, Example 39
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| Structure |
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| Formula |
C29H28N4O
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| Molecular Weight |
448.57
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| Canonical SMILES |
O=c1[nH]nc2CCCc3n(CCN(Cc4ccccc4)Cc4ccccc4)c4cccc1c4c23
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| InChI |
InChI=1S/C29H28N4O/c34-29-23-13-7-15-25-27(23)28-24(30-31-29)14-8-16-26(28)33(25)18-17-32(19-21-9-3-1-4-10-21)20-22-11-5-2-6-12-22/h1-7,9-13,15H,8,14,16-20H2,(H,31,34)
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| InChIKey |
UXPICZYMZUHZGX-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