General Information of the Compound
| Compound ID |
CP0562792
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| Compound Name |
(2S)-24-(azetidin-1-yl)-11-fluoro-18,21-dimethyl-15-oxa-7,18,21,25,27,28-hexazapentacyclo[24.2.1.02,7.09,14.022,27]nonacosa-1(28),9(14),10,12,22,24,26(29)-heptaene-8,17-dione
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| Structure |
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| Formula |
C27H32FN7O3
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| Molecular Weight |
521.597
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| Canonical SMILES |
CN1CCN(C)C(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CCC1
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| InChI |
InChI=1S/C27H32FN7O3/c1-31-12-13-32(2)26(36)17-38-22-8-7-18(28)14-19(22)27(37)34-11-4-3-6-21(34)20-15-24-29-23(33-9-5-10-33)16-25(31)35(24)30-20/h7-8,14-16,21H,3-6,9-13,17H2,1-2H3/t21-/m0/s1
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| InChIKey |
AOCKQJYVQIFDFU-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