General Information of the Compound
| Compound ID |
CP0944778
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| Compound Name |
SID85798450
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| Structure |
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| Formula |
C31H39N3O4
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| Molecular Weight |
517.67
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C31H39N3O4/c1-22-18-34(23(2)21-35)31(36)28-17-25(32(3)4)13-16-29(28)38-30(22)20-33(5)19-24-11-14-27(15-12-24)37-26-9-7-6-8-10-26/h6-17,22-23,30,35H,18-21H2,1-5H3/t22-,23+,30-/m1/s1
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| InChIKey |
WHHZCPPSCKMHDQ-DUELTEGESA-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