General Information of the Compound
| Compound ID |
CP0458024
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| Compound Name |
(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
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| Structure |
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| Formula |
C24H26FN5O2
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| Molecular Weight |
435.503
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| Canonical SMILES |
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CCCCc12)-c1c[nH]c2ncc(F)cc12
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| InChI |
InChI=1S/C24H26FN5O2/c25-14-9-16-17(11-27-21(16)26-10-14)23-28-18-4-2-1-3-15(18)22(30-23)29-20-13-7-5-12(6-8-13)19(20)24(31)32/h9-13,19-20H,1-8H2,(H,26,27)(H,31,32)(H,28,29,30)/t12?,13?,19-,20-/m0/s1
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| InChIKey |
RITIYIUBVRXVBU-JFFVOTQRSA-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