General Information of the Compound
| Compound ID |
CP0574486
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| Compound Name |
N-(3-fluorophenyl)-1-[3-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridin-2-yl]piperidin-4-amine
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| Structure |
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| Formula |
C28H34FN5
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| Molecular Weight |
459.613
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2N2CCC(CC2)Nc2cccc(F)c2)CCN1
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| InChI |
InChI=1S/C28H34FN5/c1-21-19-33(17-14-30-21)20-22-7-9-23(10-8-22)27-6-3-13-31-28(27)34-15-11-25(12-16-34)32-26-5-2-4-24(29)18-26/h2-10,13,18,21,25,30,32H,11-12,14-17,19-20H2,1H3/t21-/m0/s1
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| InChIKey |
OXXACWCGCOROBD-NRFANRHFSA-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