General Information of the Compound
| Compound ID |
CP0045712
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| Compound Name |
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]butanamide
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| Structure |
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| Formula |
C25H31NO4
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| Molecular Weight |
409.526
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| Canonical SMILES |
CCCC(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
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| InChI |
InChI=1S/C25H31NO4/c1-2-8-21(27)26-18-10-7-9-17(15-18)22(16-13-14-16)23-24(28)19-11-5-3-4-6-12-20(19)30-25(23)29/h7,9-10,15-16,22,28H,2-6,8,11-14H2,1H3,(H,26,27)
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| InChIKey |
HSTMXQZXKCTWOS-UHFFFAOYSA-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