General Information of the Compound
| Compound ID |
CP0222166
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| Compound Name |
[3-[[5-(5H-chromeno[2,3-b]pyridin-8-yloxy)pentyl-methylamino]methyl]phenyl] N-heptylcarbamate
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| Structure |
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| Formula |
C33H43N3O4
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| Molecular Weight |
545.724
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| Canonical SMILES |
CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3Cc4cccnc4Oc3c2)c1
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| InChI |
InChI=1S/C33H43N3O4/c1-3-4-5-6-8-18-35-33(37)39-30-15-11-13-26(22-30)25-36(2)20-9-7-10-21-38-29-17-16-27-23-28-14-12-19-34-32(28)40-31(27)24-29/h11-17,19,22,24H,3-10,18,20-21,23,25H2,1-2H3,(H,35,37)
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| InChIKey |
XYGHSWJYJDPEQM-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