General Information of the Compound
| Compound ID |
CP0540770
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| Compound Name |
3-[[(3S)-1-[5-[(3-methyl-5-phenyl-1-benzofuran-2-carbonyl)amino]pyridin-2-yl]pyrrolidin-3-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C33H29N3O5
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| Molecular Weight |
547.611
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| Canonical SMILES |
Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CC[C@H](COc2cccc(c2)C(O)=O)C1
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| InChI |
InChI=1S/C33H29N3O5/c1-21-28-17-24(23-6-3-2-4-7-23)10-12-29(28)41-31(21)32(37)35-26-11-13-30(34-18-26)36-15-14-22(19-36)20-40-27-9-5-8-25(16-27)33(38)39/h2-13,16-18,22H,14-15,19-20H2,1H3,(H,35,37)(H,38,39)/t22-/m0/s1
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| InChIKey |
SHQJSZLUAVTKKF-QFIPXVFZSA-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