General Information of the Compound
| Compound ID |
CP0430567
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| Compound Name |
CHEMBL169885
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| Formula |
C26H31NO5
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| Molecular Weight |
437.536
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| Canonical SMILES |
Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)OCCC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c1
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| InChI |
InChI=1S/C26H31NO5/c28-21-2-4-23(29)19(10-21)15-27-20-1-3-24(30)22(11-20)25(31)32-6-5-26-12-16-7-17(13-26)9-18(8-16)14-26/h1-4,10-11,16-18,27-30H,5-9,12-15H2/t16-,17+,18-,26?
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| InChIKey |
UKUPIEIGJLWQAX-QXRPDJHGSA-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