General Information of the Compound
| Compound ID |
CP0528298
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| Compound Name |
17beta-Hydroxy-11beta-[4-(9-hydroxy-1-methyl-6,9-dioxo-1-aza-5-oxa-nonyl)-phenyl]-17alpha-(1-propinyl)-estra-4,9-dien-3-one
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| Structure |
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| Formula |
C35H43NO6
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| Molecular Weight |
573.73
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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)CCCOC(=O)CCC(O)=O
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| InChI |
InChI=1S/C35H43NO6/c1-4-17-35(41)18-16-30-28-12-8-24-21-26(37)11-13-27(24)33(28)29(22-34(30,35)2)23-6-9-25(10-7-23)36(3)19-5-20-42-32(40)15-14-31(38)39/h6-7,9-10,21,28-30,41H,5,8,11-16,18-20,22H2,1-3H3,(H,38,39)/t28-,29+,30-,34-,35-/m0/s1
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| InChIKey |
SIIIPWWSEADMPU-CTBBFHLNSA-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