General Information of the Compound
| Compound ID |
CP0475325
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| Compound Name |
CHEMBL4103672
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| Formula |
C24H28N2O3
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| Molecular Weight |
392.499
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| Canonical SMILES |
O[C@]1(CC(=O)Nc2ccc3NC(=O)CCc3c2)CC[C@H](Cc2ccccc2)CC1
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| InChI |
InChI=1S/C24H28N2O3/c27-22-9-6-19-15-20(7-8-21(19)26-22)25-23(28)16-24(29)12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-5,7-8,15,18,29H,6,9-14,16H2,(H,25,28)(H,26,27)/t18-,24+
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| InChIKey |
XTENERRQQYKXGN-OWWJJEGGSA-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