General Information of the Compound
| Compound ID |
CP0570760
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| Compound Name |
(2S)-N-(4-fluorophenyl)-2-[3-[(6-fluoroquinazolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide
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| Structure |
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| Formula |
C22H20F2N4O
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| Molecular Weight |
394.425
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| Canonical SMILES |
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)Nc1ncnc2ccc(F)cc12
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| InChI |
InChI=1S/C22H20F2N4O/c1-13(20(29)27-16-5-2-14(23)3-6-16)21-9-22(10-21,11-21)28-19-17-8-15(24)4-7-18(17)25-12-26-19/h2-8,12-13H,9-11H2,1H3,(H,27,29)(H,25,26,28)/t13-,21?,22?/m1/s1
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| InChIKey |
NVCIIOMQDWKSEQ-ZOEHTXHGSA-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