General Information of the Compound
| Compound ID |
CP0559844
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| Compound Name |
[(3R,5R)-4-(2-fluoro-4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]-(1-methyl-2,3-dihydroindol-6-yl)methanone
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| Structure |
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| Formula |
C24H28FN3O3
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| Molecular Weight |
425.504
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| Canonical SMILES |
COc1ccc(C(=O)N2[C@H](C)CN(C[C@H]2C)C(=O)c2ccc3CCN(C)c3c2)c(F)c1
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| InChI |
InChI=1S/C24H28FN3O3/c1-15-13-27(23(29)18-6-5-17-9-10-26(3)22(17)11-18)14-16(2)28(15)24(30)20-8-7-19(31-4)12-21(20)25/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3/t15-,16-/m1/s1
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| InChIKey |
GTYMBTLVJSXLQM-HZPDHXFCSA-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