General Information of the Compound
| Compound ID |
CP0365664
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| Compound Name |
US8536198, 9
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1
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| InChI |
InChI=1S/C26H32ClN3O3/c1-25(2)17-30(16-15-26(25,33)18-11-13-19(27)14-12-18)23(31)21-9-6-10-22(21)29-24(32)28-20-7-4-3-5-8-20/h3-5,7-8,11-14,21-22,33H,6,9-10,15-17H2,1-2H3,(H2,28,29,32)/t21-,22+,26-/m0/s1
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| InChIKey |
BUFFNIJSZBDOGL-VRUMLPLGSA-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