General Information of the Compound
| Compound ID |
CP0422760
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| Compound Name |
17beta-Hydroxy-11beta-[4-(N-methynonylamino)-phenyl]-17alpha-(1-propinyl)-estra-4,9-dien-3-one
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| Structure |
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| Formula |
C37H51NO2
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| Molecular Weight |
541.82
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| Canonical SMILES |
CCCCCCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12
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| InChI |
InChI=1S/C37H51NO2/c1-5-7-8-9-10-11-12-24-38(4)29-16-13-27(14-17-29)33-26-36(3)34(21-23-37(36,40)22-6-2)32-19-15-28-25-30(39)18-20-31(28)35(32)33/h13-14,16-17,25,32-34,40H,5,7-12,15,18-21,23-24,26H2,1-4H3/t32-,33+,34-,36-,37-/m0/s1
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| InChIKey |
WWMRNGPAVKCFBX-CVXAHBFTSA-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