General Information of the Compound
| Compound ID |
CP0377449
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| Compound Name |
17beta-Hydroxy-11beta-[4-(1-oxo-5-carboxy-N-methylpentylamino)-phenyl]-17alpha-(1-propinyl)-estra-4,9-dien-3-one
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| Structure |
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| Formula |
C34H41NO5
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| Molecular Weight |
543.704
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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)CCCCC(O)=O
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| InChI |
InChI=1S/C34H41NO5/c1-4-18-34(40)19-17-29-27-15-11-23-20-25(36)14-16-26(23)32(27)28(21-33(29,34)2)22-9-12-24(13-10-22)35(3)30(37)7-5-6-8-31(38)39/h9-10,12-13,20,27-29,40H,5-8,11,14-17,19,21H2,1-3H3,(H,38,39)/t27-,28+,29-,33-,34-/m0/s1
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| InChIKey |
KPKMRAJDYFOVTK-BDOGIOJZSA-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