General Information of the Compound
| Compound ID |
CP0106277
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| Compound Name |
US9018214, 190
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| Structure |
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| Formula |
C24H35F2N5O2
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| Molecular Weight |
463.573
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| Canonical SMILES |
CCC(F)(F)c1cnc2c(c1)N(CC2(C)C)C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O
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| InChI |
InChI=1S/C24H35F2N5O2/c1-5-24(25,26)17-9-19-22(28-10-17)23(3,4)15-31(19)21(33)14-30-12-16(2)27-11-18(30)13-29-8-6-7-20(29)32/h9-10,16,18,27H,5-8,11-15H2,1-4H3/t16-,18-/m1/s1
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| InChIKey |
PXEPLGSRYHWTKA-SJLPKXTDSA-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