General Information of the Compound
| Compound ID |
CP0385695
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| Compound Name |
3-[4-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate
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| Structure |
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| Formula |
C30H42N2O10
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| Molecular Weight |
590.67
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
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| InChI |
InChI=1S/C30H42N2O10/c1-35-23-17-21(18-24(36-2)27(23)39-5)29(33)41-15-8-11-31-9-7-10-32(13-12-31)14-16-42-30(34)22-19-25(37-3)28(40-6)26(20-22)38-4/h17-20H,7-16H2,1-6H3
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| InChIKey |
KBNCGWVIKQLCHR-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