General Information of the Compound
| Compound ID |
CP0664253
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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-methyl-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C27H25FN10O
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| Molecular Weight |
524.564
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| Canonical SMILES |
CCn1cc([C@@]2(c3nnc(NC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
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| InChI |
InChI=1S/C27H25FN10O/c1-3-38-14-15(11-32-38)27(25-36-37-26(29-2)39-25)23-18(17-6-4-5-7-19(17)33-23)10-21(35-27)24-31-13-22(34-24)20-9-8-16(28)12-30-20/h4-9,11-14,21,33,35H,3,10H2,1-2H3,(H,29,37)(H,31,34)/t21-,27-/m1/s1
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| InChIKey |
CXQXICBDCWZVPX-JIPXPUAJSA-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