General Information of the Compound
| Compound ID |
CP0404363
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| Compound Name |
CHEMBL3764819
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| Formula |
C27H29N3O6
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| Molecular Weight |
491.544
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| Canonical SMILES |
CCCCOC(=O)c1c(NCc2ccc(OC)cc2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
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| InChI |
InChI=1S/C27H29N3O6/c1-5-6-13-35-27(33)21-22(28-15-16-7-10-18(34-4)11-8-16)24(31)25(32)26-23(21)29-19-12-9-17(30(2)3)14-20(19)36-26/h7-12,14,28,32H,5-6,13,15H2,1-4H3
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| InChIKey |
NZTDWHFUCHYGAK-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