General Information of the Compound
| Compound ID |
CP0326339
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| Compound Name |
(8R)-15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-8-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
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| Structure |
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| Formula |
C26H29FN8O2
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| Molecular Weight |
504.57
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| Canonical SMILES |
C[C@@H]1CCOc2cc(F)c(cc2C(=O)Nc2cccc(n2)-c2nncn2C1)-c1cnn(CCN(C)C)c1
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| InChI |
InChI=1S/C26H29FN8O2/c1-17-7-10-37-23-12-21(27)19(18-13-29-35(15-18)9-8-33(2)3)11-20(23)26(36)31-24-6-4-5-22(30-24)25-32-28-16-34(25)14-17/h4-6,11-13,15-17H,7-10,14H2,1-3H3,(H,30,31,36)/t17-/m1/s1
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| InChIKey |
KJXWPROLOCNBKX-QGZVFWFLSA-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