General Information of the Compound
| Compound ID |
CP0579656
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| Compound Name |
1-[4-[5-chloro-3-[[(4R)-4-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-methylphenoxy]piperidin-1-yl]-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-one
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| Structure |
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| Formula |
C24H26ClF6N3O3S
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| Molecular Weight |
585.998
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| Canonical SMILES |
Cc1c(Nc2nc3[C@H](O)CCCc3s2)cc(Cl)cc1OC1CCN(CC1)C(=O)CC(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H26ClF6N3O3S/c1-12-15(32-22-33-21-16(35)3-2-4-18(21)38-22)9-13(25)10-17(12)37-14-5-7-34(8-6-14)20(36)11-19(23(26,27)28)24(29,30)31/h9-10,14,16,19,35H,2-8,11H2,1H3,(H,32,33)/t16-/m1/s1
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| InChIKey |
AFZMZLHHVUIZBS-MRXNPFEDSA-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