General Information of the Compound
| Compound ID |
CP0553753
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| Compound Name |
(2S)-11-fluoro-21-methyl-24-[3-(methylamino)azetidin-1-yl]-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 |
C27H33FN8O3
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| Molecular Weight |
536.612
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| Canonical SMILES |
CNC1CN(C1)c1cc2N(C)CCNC(=O)COc3ccc(F)cc3C(=O)N3CCCC[C@H]3c3cc(n1)n2n3
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| InChI |
InChI=1S/C27H33FN8O3/c1-29-18-14-34(15-18)23-13-26-33(2)10-8-30-25(37)16-39-22-7-6-17(28)11-19(22)27(38)35-9-4-3-5-21(35)20-12-24(31-23)36(26)32-20/h6-7,11-13,18,21,29H,3-5,8-10,14-16H2,1-2H3,(H,30,37)/t21-/m0/s1
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| InChIKey |
DMHNHBINQSBFDO-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