General Information of the Compound
| Compound ID |
CP0432716
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| Compound Name |
(8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-17-[2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C28H32N2O4S2
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| Molecular Weight |
524.708
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| Canonical SMILES |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2cccnc2s1
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| InChI |
InChI=1S/C28H32N2O4S2/c1-15-11-19-18-7-6-16-12-17(31)8-9-26(16,2)23(18)21(32)13-27(19,3)28(15,34)22(33)14-35-25-30-20-5-4-10-29-24(20)36-25/h4-5,8-10,12,15,18-19,21,23,32,34H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,23-,26+,27+,28+/m1/s1
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| InChIKey |
VCFBBMLFDTXNGZ-FKHBXXRNSA-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: PT00967, Glucocorticoid receptor
Protein ID: PT00870, Glucocorticoid receptor