General Information of the Compound
| Compound ID |
CP0966618
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| Compound Name |
SID144200016
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| Structure |
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| Formula |
C39H43N3O4
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| Molecular Weight |
617.79
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O
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| InChI |
InChI=1S/C39H43N3O4/c1-27-22-42(28(2)25-43)39(44)38-37(34-16-10-11-17-35(34)41(38)4)33-15-9-8-12-30(33)26-45-36(27)24-40(3)23-29-18-20-32(21-19-29)46-31-13-6-5-7-14-31/h5-21,27-28,36,43H,22-26H2,1-4H3/t27-,28+,36+/m0/s1
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| InChIKey |
RZBAHHBRQVWZMS-UGIZIUIESA-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