General Information of the Compound
| Compound ID |
CP0007015
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| Compound Name |
US9777008, Compound 149
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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 |
CN1CCN(CC1)c1ccc(cn1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C28H34N4O2/c1-30-13-15-32(16-14-30)28-10-9-24(18-29-28)23-7-4-8-27(17-23)34-21-26(33)20-31-12-11-22-5-2-3-6-25(22)19-31/h2-10,17-18,26,33H,11-16,19-21H2,1H3
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| InChIKey |
CWTUSQUQKHEUAH-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