General Information of the Compound
| Compound ID |
CP0094726
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| Compound Name |
N-[2-(7,17-dimethoxy-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,10,14(19),15,17-heptaen-10-yl)ethyl]acetamide
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
COc1ccc2N3Cc4c(CCNC(C)=O)c5cc(OC)ccc5n4CC3Cc2c1
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| InChI |
InChI=1S/C24H27N3O3/c1-15(28)25-9-8-20-21-12-19(30-3)5-7-23(21)27-13-17-10-16-11-18(29-2)4-6-22(16)26(17)14-24(20)27/h4-7,11-12,17H,8-10,13-14H2,1-3H3,(H,25,28)
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| InChIKey |
NNOZWXPTXGWATL-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