General Information of the Compound
| Compound ID |
CP0529423
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| Compound Name |
17beta-Hydroxy-11beta-[4-(1-oxo-N-methylpentylamino)-phenyl]-17alpha-(1-propinyl)-estra-4,9-dien-3-one
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| Structure |
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| Formula |
C34H43NO3
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| Molecular Weight |
513.722
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| Canonical SMILES |
CCCCCC(=O)N(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/C34H43NO3/c1-5-7-8-9-31(37)35(4)25-13-10-23(11-14-25)29-22-33(3)30(18-20-34(33,38)19-6-2)28-16-12-24-21-26(36)15-17-27(24)32(28)29/h10-11,13-14,21,28-30,38H,5,7-9,12,15-18,20,22H2,1-4H3/t28-,29+,30-,33-,34-/m0/s1
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| InChIKey |
RKQDCTSUSZPYLI-BWQSSOLDSA-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