General Information of the Compound
| Compound ID |
CP0457077
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| Compound Name |
US8969358, 112
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| Structure |
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| Formula |
C26H35N3O4
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| Molecular Weight |
453.583
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CN)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C26H35N3O4/c1-32-26-7-6-24(11-17(26)13-28-20(31)12-27)19-10-16-4-5-18(30)22-21(16)25(24,23(26)33-22)8-9-29(19)14-15-2-3-15/h4-5,15,17,19,23,30H,2-3,6-14,27H2,1H3,(H,28,31)/t17-,19-,23-,24-,25+,26-/m1/s1
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| InChIKey |
FUMNMMZHPITCDD-APHSDXQSSA-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