General Information of the Compound
| Compound ID |
CP0422906
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| Compound Name |
17beta-Hydroxy-11beta-[4-(3-hydroxy-N-methypropylamino)-phenyl]-17alpha-(1-propinyl)-estra-4,9-dien-3-one
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| Structure |
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| Formula |
C31H39NO3
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| Molecular Weight |
473.657
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| Canonical SMILES |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCO
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| InChI |
InChI=1S/C31H39NO3/c1-4-15-31(35)16-14-28-26-12-8-22-19-24(34)11-13-25(22)29(26)27(20-30(28,31)2)21-6-9-23(10-7-21)32(3)17-5-18-33/h6-7,9-10,19,26-28,33,35H,5,8,11-14,16-18,20H2,1-3H3/t26-,27+,28-,30-,31-/m0/s1
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| InChIKey |
WWIWFHZHCWWQLB-PABOLRIOSA-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