General Information of the Compound
| Compound ID |
CP0423891
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| Compound Name |
US9221831, 13
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| Structure |
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| Formula |
C24H29N3O3S2
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| Molecular Weight |
471.648
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| Canonical SMILES |
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSc1nncs1)OC
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| InChI |
InChI=1S/C24H29N3O3S2/c1-27-9-8-23-18-14-4-5-16(28-2)19(18)30-20(23)24(29-3)7-6-22(23,17(27)10-14)11-15(24)12-31-21-26-25-13-32-21/h4-5,13,15,17,20H,6-12H2,1-3H3/t15-,17-,20-,22-,23+,24-/m1/s1
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| InChIKey |
DIRJTFYCVZTOSH-TZJJEGCPSA-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