General Information of the Compound
| Compound ID |
CP0490977
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| Compound Name |
US9340500, I-109
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| Structure |
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| Formula |
C27H37F3N4O
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| Molecular Weight |
490.614
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| Canonical SMILES |
Cc1c(cc(n1C1CCN(CC1)C1CCNCC1)C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H37F3N4O/c1-18-23(25(35)32-20-7-5-6-19(16-20)27(28,29)30)17-24(26(2,3)4)34(18)22-10-14-33(15-11-22)21-8-12-31-13-9-21/h5-7,16-17,21-22,31H,8-15H2,1-4H3,(H,32,35)
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| InChIKey |
NPLKALZIQZJQGG-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