General Information of the Compound
| Compound ID |
CP0392038
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]-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 |
C26H32N2O4S
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| Molecular Weight |
468.619
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| Canonical SMILES |
Cc1ccnc(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)n1
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| InChI |
InChI=1S/C26H32N2O4S/c1-15-8-11-27-23(28-15)33-14-21(31)26(32)10-7-19-18-5-4-16-12-17(29)6-9-24(16,2)22(18)20(30)13-25(19,26)3/h6,8-9,11-12,18-20,22,30,32H,4-5,7,10,13-14H2,1-3H3/t18-,19-,20-,22+,24-,25-,26-/m0/s1
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| InChIKey |
CRPUXBKNGRLLDG-OKKNSTDLSA-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