General Information of the Compound
| Compound ID |
CP0153442
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| Compound Name |
5-[(1R,3R)-3-[5-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-propan-2-yl-1,3,4-oxadiazol-2-one
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| Structure |
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| Formula |
C28H26FN9O2
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| Molecular Weight |
539.575
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| Canonical SMILES |
CC(C)n1nc(oc1=O)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1cnn(C)c1
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| InChI |
InChI=1S/C28H26FN9O2/c1-15(2)38-27(39)40-26(36-38)28(16-11-32-37(3)14-16)24-19(18-6-4-5-7-20(18)33-24)10-22(35-28)25-31-13-23(34-25)21-9-8-17(29)12-30-21/h4-9,11-15,22,33,35H,10H2,1-3H3,(H,31,34)/t22-,28-/m1/s1
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| InChIKey |
URSFXHYCOQKUPP-SKCUWOTOSA-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