General Information of the Compound
| Compound ID |
CP0459800
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| Compound Name |
20-phenylmethoxy-5,7-dioxa-13,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-2,4(8),9,15(23),17(22),18,20-heptaene
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| Structure |
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| Formula |
C27H24N2O3
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| Molecular Weight |
424.5
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| Canonical SMILES |
C(Oc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1)c1ccccc1
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| InChI |
InChI=1S/C27H24N2O3/c1-2-4-17(5-3-1)15-30-19-6-7-23-21(11-19)22-12-25-20-13-27-26(31-16-32-27)10-18(20)8-9-29(25)14-24(22)28-23/h1-7,10-11,13,25,28H,8-9,12,14-16H2
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| InChIKey |
HLPRSACEXBYGBY-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