General Information of the Compound
| Compound ID |
CP0942361
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| Compound Name |
(R)-N-(2-tert-butyl-1-(2,3-dihydroxypropyl)-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C25H30N2O5
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| Molecular Weight |
438.524
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| Canonical SMILES |
CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(O)c(O)c4)CC3)ccc2n1C[C@@H](O)CO
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| InChI |
InChI=1S/C25H30N2O5/c1-24(2,3)22-11-15-10-17(5-6-19(15)27(22)13-18(29)14-28)26-23(32)25(8-9-25)16-4-7-20(30)21(31)12-16/h4-7,10-12,18,28-31H,8-9,13-14H2,1-3H3,(H,26,32)/t18-/m1/s1
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| InChIKey |
PRHHCFRIWCPKDX-GOSISDBHSA-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