General Information of the Compound
| Compound ID |
CP0683295
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| Compound Name |
5-((1R,3R)-1-(1-ethyl-1H-pyrazol-4-yl)-3-(4-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-3-isopropyl-1,3,4-oxadiazol-2(3H)-one
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| Structure |
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| Formula |
C29H28FN9O2
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| Molecular Weight |
553.602
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| Canonical SMILES |
CCn1cc([C@@]2(c3nn(C(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
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| InChI |
InChI=1S/C29H28FN9O2/c1-4-38-15-17(12-33-38)29(27-37-39(16(2)3)28(40)41-27)25-20(19-7-5-6-8-21(19)34-25)11-23(36-29)26-32-14-24(35-26)22-10-9-18(30)13-31-22/h5-10,12-16,23,34,36H,4,11H2,1-3H3,(H,32,35)/t23-,29-/m1/s1
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| InChIKey |
BGBRPPONHQFLEX-RNWIMVQKSA-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