General Information of the Compound
| Compound ID |
CP0385683
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| Compound Name |
3,4,5-trimethoxy-N-[3-[4-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]-1,4-diazepan-1-yl]propyl]benzamide
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| Structure |
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| Formula |
C31H46N4O8
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| Molecular Weight |
602.729
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NCCCN1CCCN(CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
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| InChI |
InChI=1S/C31H46N4O8/c1-38-24-18-22(19-25(39-2)28(24)42-5)30(36)32-10-7-12-34-14-9-15-35(17-16-34)13-8-11-33-31(37)23-20-26(40-3)29(43-6)27(21-23)41-4/h18-21H,7-17H2,1-6H3,(H,32,36)(H,33,37)
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| InChIKey |
PJPAIMWSKBWYCJ-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