General Information of the Compound
| Compound ID |
CP0396281
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| Compound Name |
8-[[(16E)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl]oxy]octanoic acid
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| Structure |
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| Formula |
C30H35N3O5
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| Molecular Weight |
517.626
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| Canonical SMILES |
OC(=O)CCCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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| InChI |
InChI=1S/C30H35N3O5/c34-29(35)11-4-2-1-3-5-18-38-28-13-12-26-20-25(28)22-37-17-7-6-16-36-21-23-9-8-10-24(19-23)27-14-15-31-30(32-26)33-27/h6-10,12-15,19-20H,1-5,11,16-18,21-22H2,(H,34,35)(H,31,32,33)/b7-6+
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| InChIKey |
JJALYRAJTLHVBW-VOTSOKGWSA-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