General Information of the Compound
| Compound ID |
CP0377451
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| Compound Name |
17beta-Hydroxy-11beta-{4-[11-carboxy-1,13-dimethyl-2,9-dioxo-1,3,10-triaza-tetradecyl]-phenyl}-17alpha-(1-propinyl)-estra-4,9-dien-3-one
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| Structure |
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| Formula |
C41H55N3O6
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| Molecular Weight |
685.906
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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)C(=O)NCCCCCC(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C41H55N3O6/c1-6-20-41(50)21-19-34-32-17-13-28-24-30(45)16-18-31(28)37(32)33(25-40(34,41)4)27-11-14-29(15-12-27)44(5)39(49)42-22-9-7-8-10-36(46)43-35(38(47)48)23-26(2)3/h11-12,14-15,24,26,32-35,50H,7-10,13,16-19,21-23,25H2,1-5H3,(H,42,49)(H,43,46)(H,47,48)/t32-,33+,34-,35-,40-,41-/m0/s1
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| InChIKey |
DYWZJBIJXQNKMB-KHKJJKDASA-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