General Information of the Compound
| Compound ID |
CP0561590
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| Compound Name |
US9233111, 38
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| Structure |
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| Formula |
C31H32FN5O3
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| Molecular Weight |
541.627
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)CF
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| InChI |
InChI=1S/C31H32FN5O3/c1-31(2,3)21-9-7-20(8-10-21)30(40)36-25-6-4-5-22(24(25)17-38)28-23-15-26(35-29(23)34-18-33-28)19-11-13-37(14-12-19)27(39)16-32/h4-11,15,18,38H,12-14,16-17H2,1-3H3,(H,36,40)(H,33,34,35)
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| InChIKey |
WTMWKOGRGZGVBZ-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