General Information of the Compound
| Compound ID |
CP0523027
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| Compound Name |
CHEMBL3087512
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| Formula |
C18H21NO4
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| Molecular Weight |
315.369
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| Canonical SMILES |
COC(=O)N1C[C@@H]2COC[C@H](C1)[C@@]2(O)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C18H21NO4/c1-13-4-3-5-14(8-13)6-7-18(21)15-9-19(17(20)22-2)10-16(18)12-23-11-15/h3-5,8,15-16,21H,9-12H2,1-2H3/t15-,16+,18-
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| InChIKey |
CNGDFBATSBXHSU-ALXJQNPVSA-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