General Information of the Compound
| Compound ID |
CP0902143
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| Compound Name |
US9163012, 54
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| Formula |
C24H28N4O4S
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| Molecular Weight |
468.579
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| Canonical SMILES |
NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CCC[C@@H]1c1nc(-c4cc[nH]c(=O)c4)cs1)C(C3)C2
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| InChI |
InChI=1S/C24H28N4O4S/c25-22(30)24-9-13-6-15(10-24)20(16(7-13)11-24)32-23(31)28-5-1-2-18(28)21-27-17(12-33-21)14-3-4-26-19(29)8-14/h3-4,8,12-13,15-16,18,20H,1-2,5-7,9-11H2,(H2,25,30)(H,26,29)/t13?,15?,16?,18-,20-,24-/m1/s1
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| InChIKey |
BSKLVMKIVXMWAW-ZNDHGFMNSA-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