General Information of the Compound
| Compound ID |
CP0386128
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| Compound Name |
CHEMBL3785376
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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(-c2cccc(OCC34CCC(CC3)O4)c2F)c2c(N)ncnc12
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| InChI |
InChI=1S/C29H35FN6O3/c1-18(37)34-9-11-35(12-10-34)19-13-20(14-19)36-15-23(25-27(31)32-17-33-28(25)36)22-3-2-4-24(26(22)30)38-16-29-7-5-21(39-29)6-8-29/h2-4,15,17,19-21H,5-14,16H2,1H3,(H2,31,32,33)/t19-,20+,21?,29?
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| InChIKey |
GDQNZUACBYERBG-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