General Information of the Compound
| Compound ID |
CP0881111
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| Compound Name |
SID131408792
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| Structure |
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| Formula |
C32H41N3O4
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| Molecular Weight |
531.697
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C32H41N3O4/c1-23-19-35(24(2)22-36)32(37)18-26-17-27(33(3)4)13-16-30(26)39-31(23)21-34(5)20-25-11-14-29(15-12-25)38-28-9-7-6-8-10-28/h6-17,23-24,31,36H,18-22H2,1-5H3/t23-,24+,31+/m1/s1
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| InChIKey |
KPMYWLOWNANZDW-OXYPMYLPSA-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