General Information of the Compound
| Compound ID |
CP0761914
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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)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C28H27FN10O
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| Molecular Weight |
538.591
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| Canonical SMILES |
CCn1cc([C@@]2(c3nnc(N(C)C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
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| InChI |
InChI=1S/C28H27FN10O/c1-4-39-15-16(12-32-39)28(26-36-37-27(40-26)38(2)3)24-19(18-7-5-6-8-20(18)33-24)11-22(35-28)25-31-14-23(34-25)21-10-9-17(29)13-30-21/h5-10,12-15,22,33,35H,4,11H2,1-3H3,(H,31,34)/t22-,28-/m1/s1
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| InChIKey |
HNDFPMYEMNAVKO-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