General Information of the Compound
| Compound ID |
CP0468214
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| Compound Name |
US8906911, 60
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| Structure |
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| Formula |
C25H41N3O5
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| Molecular Weight |
463.619
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| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C25H41N3O5/c1-24(2,3)33-23(30)28-14-18-11-19(28)13-27(18)22(29)25-8-5-6-16(25)10-17(12-25)26-20-7-9-32-15-21(20)31-4/h16-21,26H,5-15H2,1-4H3/t16-,17-,18+,19+,20+,21-,25-/m1/s1
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| InChIKey |
MQMJOHLMFHVIKV-YPPVKOAUSA-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