General Information of the Compound
| Compound ID |
CP0539951
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| Compound Name |
2,3-dihydro-1H-indol-6-yl-[(3R,5R)-4-(2-fluoro-4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C23H26FN3O3
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| Molecular Weight |
411.477
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| Canonical SMILES |
COc1ccc(C(=O)N2[C@H](C)CN(C[C@H]2C)C(=O)c2ccc3CCNc3c2)c(F)c1
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| InChI |
InChI=1S/C23H26FN3O3/c1-14-12-26(22(28)17-5-4-16-8-9-25-21(16)10-17)13-15(2)27(14)23(29)19-7-6-18(30-3)11-20(19)24/h4-7,10-11,14-15,25H,8-9,12-13H2,1-3H3/t14-,15-/m1/s1
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| InChIKey |
OPSJPENGSYSKQS-HUUCEWRRSA-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