General Information of the Compound
| Compound ID |
CP0519242
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| Compound Name |
17beta-Hydroxy-11beta-[4-(1-oxo-4-carboxy-N-methylbutylamino)-phenyl]-17alpha-(1-propinyl)-estra-4,9-dien-3-one
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| Structure |
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| Formula |
C33H39NO5
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| Molecular Weight |
529.677
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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)CCCC(O)=O
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| InChI |
InChI=1S/C33H39NO5/c1-4-17-33(39)18-16-28-26-14-10-22-19-24(35)13-15-25(22)31(26)27(20-32(28,33)2)21-8-11-23(12-9-21)34(3)29(36)6-5-7-30(37)38/h8-9,11-12,19,26-28,39H,5-7,10,13-16,18,20H2,1-3H3,(H,37,38)/t26-,27+,28-,32-,33-/m0/s1
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| InChIKey |
HDGGCJDELDDYQH-SBMMGGBVSA-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