General Information of the Compound
| Compound ID |
CP0440051
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| Compound Name |
((S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(3-fluoro-4-(3-fluoropyridin-4-yl)phenyl)methanone
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| Structure |
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| Formula |
C26H22F2N4O2
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| Molecular Weight |
460.484
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(c(F)c1)-c1ccncc1F
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| InChI |
InChI=1S/C26H22F2N4O2/c1-16-15-31(10-11-32(16)26(34)19-3-2-17-6-9-30-24(17)13-19)25(33)18-4-5-20(22(27)12-18)21-7-8-29-14-23(21)28/h2-9,12-14,16,30H,10-11,15H2,1H3/t16-/m0/s1
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| InChIKey |
NXYIECURMPFRGT-INIZCTEOSA-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