General Information of the Compound
| Compound ID |
CP0422761
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| Compound Name |
17beta-Hydroxy-11beta-[4-(6-hydroxy-N-methylhexylamino)-phenyl]-17alpha-(1-propinyl)-estra-4,9-dien-3-one
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| Structure |
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| Formula |
C34H45NO3
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| Molecular Weight |
515.738
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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)CCCCCCO
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| InChI |
InChI=1S/C34H45NO3/c1-4-18-34(38)19-17-31-29-15-11-25-22-27(37)14-16-28(25)32(29)30(23-33(31,34)2)24-9-12-26(13-10-24)35(3)20-7-5-6-8-21-36/h9-10,12-13,22,29-31,36,38H,5-8,11,14-17,19-21,23H2,1-3H3/t29-,30+,31-,33-,34-/m0/s1
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| InChIKey |
SDRSOIXGIVEZMG-FMHBTXFXSA-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