General Information of the Compound
| Compound ID |
CP0562144
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| Compound Name |
2-quinolin-3-yloxyethyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
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| Formula |
C40H47NO5
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| Molecular Weight |
621.818
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| Canonical SMILES |
CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)OCCOc1cnc2ccccc2c1
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| InChI |
InChI=1S/C40H47NO5/c1-25-28-11-12-32-38(4,29(28)22-31(42)34(25)43)16-18-40(6)33-23-37(3,14-13-36(33,2)15-17-39(32,40)5)35(44)46-20-19-45-27-21-26-9-7-8-10-30(26)41-24-27/h7-12,21-22,24,33,43H,13-20,23H2,1-6H3/t33-,36-,37-,38+,39-,40+/m1/s1
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| InChIKey |
RMDGZGIOYMSHRN-MPOPNXFASA-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