General Information of the Compound
| Compound ID |
CP0870801
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| Compound Name |
US8921559, 41
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| Formula |
C29H32F3N5O2
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| Molecular Weight |
539.602
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| Canonical SMILES |
NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccncc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1
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| InChI |
InChI=1S/C29H32F3N5O2/c30-23-13-17(14-24(31)27(23)32)1-6-26(38)37-11-8-19(9-12-37)28(29(33)39)36-20-4-2-18(3-5-20)21-16-35-25-7-10-34-15-22(21)25/h1,6-7,10,13-16,18-20,28,35-36H,2-5,8-9,11-12H2,(H2,33,39)/b6-1+/t18-,20-,28?
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| InChIKey |
MDFSYIMIGYFWGI-AGMHHWDZSA-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