General Information of the Compound
| Compound ID |
CP0571393
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| Compound Name |
(2S)-24-(azetidin-1-yl)-11-fluoro-21-methyl-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-8,19-dione
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| Structure |
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| Formula |
C26H30FN7O3
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| Molecular Weight |
507.57
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| Canonical SMILES |
CN1CC(=O)NCCOc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CCC1
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| InChI |
InChI=1S/C26H30FN7O3/c1-31-16-24(35)28-8-12-37-21-7-6-17(27)13-18(21)26(36)33-11-3-2-5-20(33)19-14-23-29-22(32-9-4-10-32)15-25(31)34(23)30-19/h6-7,13-15,20H,2-5,8-12,16H2,1H3,(H,28,35)/t20-/m0/s1
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| InChIKey |
XIIKHHWEUPXXNS-FQEVSTJZSA-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