General Information of the Compound
| Compound ID |
CP0512371
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| Compound Name |
US9340500, I-057
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| Structure |
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| Formula |
C31H35F3N4O3
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| Molecular Weight |
568.64
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C31H35F3N4O3/c1-21-27(29(40)35-26-12-7-11-25(19-26)31(32,33)34)20-28(23-9-5-4-6-10-23)38(21)16-8-15-36(3)30(41)24-13-17-37(18-14-24)22(2)39/h4-7,9-12,19-20,24H,8,13-18H2,1-3H3,(H,35,40)
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| InChIKey |
RNUCWLAEDGFCIU-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