General Information of the Compound
| Compound ID |
CP0400070
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| Compound Name |
CHEMBL3394402
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| Formula |
C24H33N3O3
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| Molecular Weight |
411.546
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| Canonical SMILES |
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCC(O)(CC1)C1CC1)C(C3)C2
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| InChI |
InChI=1S/C24H33N3O3/c28-22(26-21-16-10-15-11-17(21)14-23(29,12-15)13-16)19-2-1-3-20(25-19)27-8-6-24(30,7-9-27)18-4-5-18/h1-3,15-18,21,29-30H,4-14H2,(H,26,28)/t15?,16?,17?,21-,23-
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| InChIKey |
CVLDWMLKVFHERL-MIQLICHCSA-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