General Information of the Compound
| Compound ID |
CP0577336
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| Compound Name |
US9163012, 50
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| Structure |
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| Formula |
C23H27N3O2S
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| Molecular Weight |
409.555
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| Canonical SMILES |
O=C(OC1C2CC3CC(C2)CC1C3)N1CCC[C@@H]1c1nc(cs1)-c1ccncc1
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| InChI |
InChI=1S/C23H27N3O2S/c27-23(28-21-17-9-14-8-15(11-17)12-18(21)10-14)26-7-1-2-20(26)22-25-19(13-29-22)16-3-5-24-6-4-16/h3-6,13-15,17-18,20-21H,1-2,7-12H2/t14?,15?,17?,18?,20-,21?/m1/s1
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| InChIKey |
JUTHVZDHPWXUNN-BXDRECAWSA-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