General Information of the Compound
| Compound ID |
CP0481877
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| Compound Name |
CHEMBL3401674
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| Formula |
C27H32FN5O3
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| Molecular Weight |
493.583
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| Canonical SMILES |
NC(=O)c1ccc(cc1F)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
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| InChI |
InChI=1S/C27H32FN5O3/c28-21-12-19(4-5-20(21)25(29)34)32-6-8-33(9-7-32)23-3-1-2-22(30-23)26(35)31-24-17-10-16-11-18(24)15-27(36,13-16)14-17/h1-5,12,16-18,24,36H,6-11,13-15H2,(H2,29,34)(H,31,35)/t16?,17?,18?,24-,27-
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| InChIKey |
VMFSXMKOTZCREE-WWYOLBMNSA-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