General Information of the Compound
| Compound ID |
CP0210744
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| Compound Name |
3-[((4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carbonyl)-amino]-adamantane-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C30H41NO4
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| Molecular Weight |
479.661
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| Canonical SMILES |
CCOC(=O)C12CC3CC(CC(C3)(C1)NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2
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| InChI |
InChI=1S/C30H41NO4/c1-4-35-26(34)29-14-19-12-20(15-29)17-30(16-19,18-29)31-25(33)28(3)11-5-10-27(2)23-13-22(32)8-6-21(23)7-9-24(27)28/h6,8,13,19-20,24,32H,4-5,7,9-12,14-18H2,1-3H3,(H,31,33)/t19?,20?,24-,27-,28+,29?,30?/m1/s1
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| InChIKey |
DYTISOKVYHWYCW-ZOQHKRPUSA-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