General Information of the Compound
| Compound ID |
CP0558645
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| Compound Name |
(2S)-24-(3-aminoazetidin-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-8,17-dione
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| Formula |
C26H31FN8O3
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| Molecular Weight |
522.585
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| Canonical SMILES |
CN1CCNC(=O)COc2ccc(F)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CC(N)C1
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| InChI |
InChI=1S/C26H31FN8O3/c1-32-9-7-29-24(36)15-38-21-6-5-16(27)10-18(21)26(37)34-8-3-2-4-20(34)19-11-23-30-22(33-13-17(28)14-33)12-25(32)35(23)31-19/h5-6,10-12,17,20H,2-4,7-9,13-15,28H2,1H3,(H,29,36)/t20-/m0/s1
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| InChIKey |
HYKCIGJJVKSBQW-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