General Information of the Compound
| Compound ID |
CP0461291
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| Compound Name |
CHEMBL278269
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| Formula |
C28H34N2O4
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| Molecular Weight |
462.59
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| Canonical SMILES |
COc1ccccc1C(=O)NC[C@@]1(CC[C@@H](CC1)OC(=O)N(CC=C)CC=C)c1ccccc1
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| InChI |
InChI=1S/C28H34N2O4/c1-4-19-30(20-5-2)27(32)34-23-15-17-28(18-16-23,22-11-7-6-8-12-22)21-29-26(31)24-13-9-10-14-25(24)33-3/h4-14,23H,1-2,15-21H2,3H3,(H,29,31)/t23-,28-
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| InChIKey |
UPRONKUHHRWUCL-UEZMCPDZSA-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