General Information of the Compound
| Compound ID |
CP0547803
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| Compound Name |
[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]pyridin-2-yl]-[4-(3-fluoroanilino)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C30H35F2N5O
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| Molecular Weight |
519.64
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2F)-c2cccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1
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| InChI |
InChI=1S/C30H35F2N5O/c1-20-17-36(18-21(2)34-20)19-23-9-8-22(15-28(23)32)27-7-4-12-33-29(27)30(38)37-13-10-25(11-14-37)35-26-6-3-5-24(31)16-26/h3-9,12,15-16,20-21,25,34-35H,10-11,13-14,17-19H2,1-2H3/t20-,21+
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| InChIKey |
FEISRPDXMKTQEL-OYRHEFFESA-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