General Information of the Compound
| Compound ID |
CP0558500
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| Compound Name |
CHEMBL3287870
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| Formula |
C30H32N2O4
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| Molecular Weight |
484.596
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| Canonical SMILES |
N[C@H](C(=O)N1CCOc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)c1ccccc1
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| InChI |
InChI=1S/C30H32N2O4/c31-29(24-4-2-1-3-5-24)30(35)32-16-17-36-27-19-25(14-15-26(27)32)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-28(33)34/h1-5,10-15,19-21,29H,6-9,16-18,31H2,(H,33,34)/t20-,21-,29-/m0/s1
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| InChIKey |
FTNMZIMAMHKVSB-WURXVLGASA-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