General Information of the Compound
| Compound ID |
CP0448296
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| Compound Name |
CHEMBL44036
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| Formula |
C31H34FN3O3
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| Molecular Weight |
515.629
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| Canonical SMILES |
Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)Oc2ccccc2)CC1
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| InChI |
InChI=1S/C31H34FN3O3/c32-25-13-14-27-24(18-25)12-15-29(28(27)17-22-5-4-16-33-19-22)35-30(36)23-10-8-21(9-11-23)20-34-31(37)38-26-6-2-1-3-7-26/h1-7,13-14,16,18-19,21,23,28-29H,8-12,15,17,20H2,(H,34,37)(H,35,36)/t21-,23-,28?,29?
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| InChIKey |
AGJKSTZHUPMPDU-PIBIWPFHSA-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