General Information of the Compound
| Compound ID |
CP0565903
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| Compound Name |
US9073922, 241
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| Structure |
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| Formula |
C25H28FN3O3
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| Molecular Weight |
437.515
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| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)N[C@H](C(C)C)C(O)=O
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| InChI |
InChI=1S/C25H28FN3O3/c1-14(2)23(25(30)31)28-17-7-4-15(5-8-17)21-13-20-18(10-11-27-24(20)29-21)19-12-16(26)6-9-22(19)32-3/h4,6,9-14,17,23,28H,5,7-8H2,1-3H3,(H,27,29)(H,30,31)/t17?,23-/m1/s1
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| InChIKey |
VKEWATIKYFEHIF-IRCUZVAFSA-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