General Information of the Compound
| Compound ID |
CP0527812
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| Compound Name |
(8S,9R,10R,11S,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-methoxyprop-1-ynyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C31H41NO3
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| Molecular Weight |
475.673
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| Canonical SMILES |
COCC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C31H41NO3/c1-29-16-13-24(33)19-22(29)9-12-25-27-14-17-31(34,15-6-18-35-5)30(27,2)20-26(28(25)29)21-7-10-23(11-8-21)32(3)4/h7-8,10-11,19,25-28,34H,9,12-14,16-18,20H2,1-5H3/t25-,26+,27-,28+,29-,30-,31-/m0/s1
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| InChIKey |
NAGHPXVIWRQPIX-BLZQOCCISA-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor