General Information of the Compound
| Compound ID |
CP0554341
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| Compound Name |
6-butyl-5-(2,3-dihydroindol-1-yl)-4-hydroxy-3-[(3R)-3-phenylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C28H31N3O3
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| Molecular Weight |
457.574
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| Canonical SMILES |
CCCCc1nc(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(O)c1N1CCc2ccccc12
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| InChI |
InChI=1S/C28H31N3O3/c1-2-3-12-22-25(31-17-15-20-11-7-8-13-23(20)31)26(32)24(27(33)29-22)28(34)30-16-14-21(18-30)19-9-5-4-6-10-19/h4-11,13,21H,2-3,12,14-18H2,1H3,(H2,29,32,33)/t21-/m0/s1
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| InChIKey |
BCFNGXXTLZYSDV-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