General Information of the Compound
| Compound ID |
CP0461552
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| Compound Name |
US9126941, RD129
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| Structure |
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| Formula |
C25H22F3N3O3S
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| Molecular Weight |
501.53
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| Canonical SMILES |
COC(=O)CCCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N3O3S/c1-29-20-12-11-18(15-19(20)25(26,27)28)30-22(33)24(13-4-14-24)31(23(30)35)17-9-7-16(8-10-17)5-3-6-21(32)34-2/h7-12,15H,3-6,13-14H2,2H3
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| InChIKey |
SEXZZPIDRCPWST-UHFFFAOYSA-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