General Information of the Compound
| Compound ID |
CP0577821
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| Compound Name |
US8969325, 305
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| Structure |
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| Formula |
C25H31FN4O4
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| Molecular Weight |
470.545
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| Canonical SMILES |
COCCN(C)C1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc34)cc2NC1=O
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| InChI |
InChI=1S/C25H31FN4O4/c1-25(2)14-20(18-8-6-16(26)12-22(18)34-25)29-24(32)27-17-7-5-15-11-21(30(3)9-10-33-4)23(31)28-19(15)13-17/h5-8,12-13,20-21H,9-11,14H2,1-4H3,(H,28,31)(H2,27,29,32)/t20-,21?/m1/s1
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| InChIKey |
WXUSGVCAONIAAN-VQCQRNETSA-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