General Information of the Compound
| Compound ID |
CP0562944
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| Compound Name |
6-butyl-4-hydroxy-5-(N-methylanilino)-3-[(3R)-3-phenylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C27H31N3O3
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| Molecular Weight |
445.563
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| Canonical SMILES |
CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N(C)c1ccccc1
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| InChI |
InChI=1S/C27H31N3O3/c1-3-4-15-22-24(29(2)21-13-9-6-10-14-21)25(31)23(26(32)28-22)27(33)30-17-16-20(18-30)19-11-7-5-8-12-19/h5-14,20H,3-4,15-18H2,1-2H3,(H2,28,31,32)/t20-/m0/s1
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| InChIKey |
CULDJZYKJLBKTD-FQEVSTJZSA-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