General Information of the Compound
| Compound ID |
CP0557634
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| Compound Name |
US8901315, 425
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| Formula |
C23H34N4O3S
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| Molecular Weight |
446.617
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| Canonical SMILES |
Cc1nn(C2CCOCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCC(O)CC1
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| InChI |
InChI=1S/C23H34N4O3S/c1-15-20-14-21(31-23(20)27(25-15)18-8-12-30-13-9-18)22(29)24-16-2-4-17(5-3-16)26-10-6-19(28)7-11-26/h14,16-19,28H,2-13H2,1H3,(H,24,29)/t16-,17-
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| InChIKey |
NLOVQPSKQWMMJU-QAQDUYKDSA-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