General Information of the Compound
| Compound ID |
CP0564092
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| Compound Name |
(2S)-24-(azetidin-1-yl)-11-fluoro-21-methyl-15,18-dioxa-7,21,25,27,28-pentazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaen-8-one
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| Structure |
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| Formula |
C26H31FN6O3
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| Molecular Weight |
494.571
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| Canonical SMILES |
CN1CCOCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CCC1
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| InChI |
InChI=1S/C26H31FN6O3/c1-30-11-12-35-13-14-36-22-7-6-18(27)15-19(22)26(34)32-10-3-2-5-21(32)20-16-24-28-23(31-8-4-9-31)17-25(30)33(24)29-20/h6-7,15-17,21H,2-5,8-14H2,1H3/t21-/m0/s1
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| InChIKey |
BZWTURIEVHDXBU-NRFANRHFSA-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