General Information of the Compound
| Compound ID |
CP0324069
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| Compound Name |
[3-[[3-[3-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropyl-methylamino]methyl]phenyl] N-(5-phenylpentyl)carbamate
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| Structure |
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| Formula |
C39H42N2O6
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| Molecular Weight |
634.773
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| Canonical SMILES |
COc1ccc(cc1)-c1cc2ccc(OCCCN(C)Cc3cccc(OC(=O)NCCCCCc4ccccc4)c3)cc2oc1=O
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| InChI |
InChI=1S/C39H42N2O6/c1-41(28-30-14-9-15-35(25-30)46-39(43)40-22-8-4-7-13-29-11-5-3-6-12-29)23-10-24-45-34-21-18-32-26-36(38(42)47-37(32)27-34)31-16-19-33(44-2)20-17-31/h3,5-6,9,11-12,14-21,25-27H,4,7-8,10,13,22-24,28H2,1-2H3,(H,40,43)
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| InChIKey |
VVVHTKDUIOCALE-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