General Information of the Compound
| Compound ID |
CP0400068
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| Compound Name |
CHEMBL3394406
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| Formula |
C23H31N3O4
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| Molecular Weight |
413.518
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| Canonical SMILES |
OC(=O)CC1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
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| InChI |
InChI=1S/C23H31N3O4/c27-20(28)10-14-4-6-26(7-5-14)19-3-1-2-18(24-19)22(29)25-21-16-8-15-9-17(21)13-23(30,11-15)12-16/h1-3,14-17,21,30H,4-13H2,(H,25,29)(H,27,28)/t15?,16?,17?,21-,23-
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| InChIKey |
FRUWCJSNTJGISM-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