General Information of the Compound
| Compound ID |
CP0418767
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| Compound Name |
(8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-17-(2-quinazolin-4-ylsulfanylacetyl)-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 |
C30H34N2O4S
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| Molecular Weight |
518.679
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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)CSc1ncnc2ccccc12
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| InChI |
InChI=1S/C30H34N2O4S/c1-17-12-22-20-9-8-18-13-19(33)10-11-28(18,2)26(20)24(34)14-29(22,3)30(17,36)25(35)15-37-27-21-6-4-5-7-23(21)31-16-32-27/h4-7,10-11,13,16-17,20,22,24,26,34,36H,8-9,12,14-15H2,1-3H3/t17-,20+,22+,24+,26-,28+,29+,30+/m1/s1
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| InChIKey |
KPOJXJVCCUJFHF-JPBLGFJOSA-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