General Information of the Compound
| Compound ID |
CP0386887
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| Compound Name |
CHEMBL3394408
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| Formula |
C24H33N3O4
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| Molecular Weight |
427.545
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| Canonical SMILES |
OC(=O)CCC1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
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| InChI |
InChI=1S/C24H33N3O4/c28-21(29)5-4-15-6-8-27(9-7-15)20-3-1-2-19(25-20)23(30)26-22-17-10-16-11-18(22)14-24(31,12-16)13-17/h1-3,15-18,22,31H,4-14H2,(H,26,30)(H,28,29)/t16?,17?,18?,22-,24-
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| InChIKey |
XTAXKMHLGDIQLA-IQEKICRDSA-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