General Information of the Compound
| Compound ID |
CP0483682
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| Compound Name |
2-[6-benzyl-1-[4-chloro-2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C30H26ClN3O3
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| Molecular Weight |
512.009
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| Canonical SMILES |
Cc1noc(C2CC2)c1Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(Cc3ccccc3)nc12
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| InChI |
InChI=1S/C30H26ClN3O3/c1-18-26(29(37-33-18)20-7-8-20)15-21-14-23(31)9-12-27(21)34-17-22(16-28(35)36)25-11-10-24(32-30(25)34)13-19-5-3-2-4-6-19/h2-6,9-12,14,17,20H,7-8,13,15-16H2,1H3,(H,35,36)
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| InChIKey |
PYWCNWSIWXMPPB-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