General Information of the Compound
| Compound ID |
CP0512234
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| Compound Name |
US8614213, 2.35
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| Formula |
C25H25ClF3N3O2
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| Molecular Weight |
491.941
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNCc2cc(on2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C25H25ClF3N3O2/c26-22-11-8-18(25(27,28)29)12-21(22)24(33)31-19-9-6-16(7-10-19)14-30-15-20-13-23(34-32-20)17-4-2-1-3-5-17/h1-5,8,11-13,16,19,30H,6-7,9-10,14-15H2,(H,31,33)/t16-,19-
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| InChIKey |
RHHARZHZRKTXNS-RUCARUNLSA-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