General Information of the Compound
| Compound ID |
CP0525808
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| Compound Name |
tert-butyl 4-[3-[4-[[[(4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C33H48FN5O5
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| Molecular Weight |
613.775
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| Canonical SMILES |
CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC(O)CN2CCN(CC2)C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C33H48FN5O5/c1-33(2,3)44-32(42)38-19-17-37(18-20-38)23-29(40)24-43-30-11-7-25(8-12-30)21-35-31(41)39(28-13-15-36(4)16-14-28)22-26-5-9-27(34)10-6-26/h5-12,28-29,40H,13-24H2,1-4H3,(H,35,41)
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| InChIKey |
WAHXZAMQRGRPNA-UHFFFAOYSA-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