General Information of the Compound
| Compound ID |
CP0570759
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| Compound Name |
(2S)-N-(4-fluorophenyl)-2-[3-(quinazolin-4-ylamino)-1-bicyclo[1.1.1]pentanyl]propanamide
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| Structure |
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| Formula |
C22H21FN4O
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| Molecular Weight |
376.435
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| Canonical SMILES |
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)Nc1ncnc2ccccc12
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| InChI |
InChI=1S/C22H21FN4O/c1-14(20(28)26-16-8-6-15(23)7-9-16)21-10-22(11-21,12-21)27-19-17-4-2-3-5-18(17)24-13-25-19/h2-9,13-14H,10-12H2,1H3,(H,26,28)(H,24,25,27)/t14-,21?,22?/m1/s1
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| InChIKey |
JKMLPWYPEWMTBB-XWIYTBAMSA-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