General Information of the Compound
| Compound ID |
CP0118045
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| Compound Name |
US9340555, 55
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| Structure |
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| Formula |
C29H29F2N5O4S
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| Molecular Weight |
581.645
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCCN3CCOCC3)cc2F)c1
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| InChI |
InChI=1S/C29H29F2N5O4S/c1-18-3-5-20(30)23(15-18)35-29(38)34-22-6-4-19(16-21(22)31)40-25-7-9-32-24-17-26(41-27(24)25)28(37)33-8-2-10-36-11-13-39-14-12-36/h3-7,9,15-17H,2,8,10-14H2,1H3,(H,33,37)(H2,34,35,38)
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| InChIKey |
OZMHYBXYOWXNJV-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