General Information of the Compound
| Compound ID |
CP0518913
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| Compound Name |
US9193736, 168
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| Formula |
C35H36N6O3
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| Molecular Weight |
588.712
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ccc(cc1)-c1c(nc2c(ccnn12)N1CCOCC1)[C@H]1C[C@@H](C1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C35H36N6O3/c42-35(43)25-12-15-39(16-13-25)28-8-5-24(6-9-28)33-32(38-34-31(11-14-36-41(33)34)40-17-19-44-20-18-40)27-21-26(22-27)30-10-7-23-3-1-2-4-29(23)37-30/h1-11,14,25-27H,12-13,15-22H2,(H,42,43)/t26-,27-
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| InChIKey |
JYQKAFRYYSUNAZ-MCZWQBSQSA-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