General Information of the Compound
| Compound ID |
CP0962503
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| Compound Name |
(R)-4-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(2-methoxynicotinamido)-N-(tetrahydrofuran-3-yl)picolinamide
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| Structure |
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| Formula |
C28H29F2N5O5
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| Molecular Weight |
553.566
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cnc(C(=O)N[C@@H]2CCOC2)cc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C28H29F2N5O5/c1-38-28-20(3-2-9-31-28)26(36)34-23-15-32-22(27(37)33-18-8-12-39-16-18)14-24(23)35-10-6-19(7-11-35)40-25-5-4-17(29)13-21(25)30/h2-5,9,13-15,18-19H,6-8,10-12,16H2,1H3,(H,33,37)(H,34,36)/t18-/m1/s1
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| InChIKey |
AKMHEGRLMYSASE-GOSISDBHSA-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