General Information of the Compound
| Compound ID |
CP0486586
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| Compound Name |
(R)-3-amino-4-(5-chloro-2-fluorophenyl)-N-(4-(6-(2-methoxyethoxy)benzo[d]thiazol-2-yl)tetrahydro-2H-pyran-4-yl)butanamide
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| Structure |
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| Formula |
C25H29ClFN3O4S
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| Molecular Weight |
522.042
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| Canonical SMILES |
COCCOc1ccc2nc(sc2c1)C1(CCOCC1)NC(=O)C[C@H](N)Cc1cc(Cl)ccc1F
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| InChI |
InChI=1S/C25H29ClFN3O4S/c1-32-10-11-34-19-3-5-21-22(15-19)35-24(29-21)25(6-8-33-9-7-25)30-23(31)14-18(28)13-16-12-17(26)2-4-20(16)27/h2-5,12,15,18H,6-11,13-14,28H2,1H3,(H,30,31)/t18-/m1/s1
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| InChIKey |
NXGVIDAYNDDLLI-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