General Information of the Compound
| Compound ID |
CP0519493
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| Compound Name |
US9428500, 48
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| Structure |
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| Formula |
C34H30N4O
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| Molecular Weight |
510.641
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Oc5ccccc5)cc4)c3c2c1
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| InChI |
InChI=1S/C34H30N4O/c1-37-19-21-38(22-20-37)27-12-7-24(8-13-27)26-11-16-32-31(23-26)33-30(17-18-35-34(33)36-32)25-9-14-29(15-10-25)39-28-5-3-2-4-6-28/h2-18,23H,19-22H2,1H3,(H,35,36)
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| InChIKey |
MVVNKSOITCBCIN-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