General Information of the Compound
| Compound ID |
CP0122275
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| Compound Name |
CHEMBL3787271
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| Formula |
C29H35FN6O3
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| Molecular Weight |
534.636
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| Canonical SMILES |
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OCC34CCC(CC3)O4)ccc2F)c2c(N)ncnc12
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| InChI |
InChI=1S/C29H35FN6O3/c1-18(37)34-8-10-35(11-9-34)19-12-20(13-19)36-15-24(26-27(31)32-17-33-28(26)36)23-14-22(2-3-25(23)30)38-16-29-6-4-21(39-29)5-7-29/h2-3,14-15,17,19-21H,4-13,16H2,1H3,(H2,31,32,33)/t19-,20+,21?,29?
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| InChIKey |
YOTQLOMFEGZDSX-NMHAHAAISA-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