General Information of the Compound
| Compound ID |
CP0481366
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| Compound Name |
17beta-Hydroxy-11beta-[4-(7-carboxy-N-methylheptylamino)-phenyl]-17alpha-(1-propinyl)-estra-4,9-dien-3-one
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| Structure |
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| Formula |
C36H47NO4
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| Molecular Weight |
557.775
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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)CCCCCCCC(O)=O
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| InChI |
InChI=1S/C36H47NO4/c1-4-20-36(41)21-19-32-30-17-13-26-23-28(38)16-18-29(26)34(30)31(24-35(32,36)2)25-11-14-27(15-12-25)37(3)22-9-7-5-6-8-10-33(39)40/h11-12,14-15,23,30-32,41H,5-10,13,16-19,21-22,24H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1
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| InChIKey |
MOMUOZHPMJSJOU-ONBGVYQJSA-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