General Information of the Compound
| Compound ID |
CP0280306
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| Compound Name |
CHEMBL1642598
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| Formula |
C28H32F4N2O3
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| Molecular Weight |
520.567
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccc(F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H32F4N2O3/c1-26(37,28(30,31)32)19-4-2-18(3-5-19)25(36)34(22-10-11-22)23-12-15-27(16-13-23,17-14-24(33)35)20-6-8-21(29)9-7-20/h2-9,22-23,37H,10-17H2,1H3,(H2,33,35)/t23-,26-,27-/m0/s1
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| InChIKey |
ZEHMTRACVGXAFW-YGPDHOBYSA-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