General Information of the Compound
| Compound ID |
CP0062602
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| Compound Name |
CHEMBL2031150
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| Formula |
C28H37F2N3O4
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| Molecular Weight |
517.617
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| Canonical SMILES |
CC(C)(C)Cc1cnc2O[C@@]3(C[C@H](O)C3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)CF)c2c1
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| InChI |
InChI=1S/C28H37F2N3O4/c1-27(2,3)10-18-8-21-23(13-28(11-20(34)12-28)37-26(21)32-15-18)31-16-24(35)22(33-25(36)14-29)9-17-4-6-19(30)7-5-17/h4-8,15,20,22-24,31,34-35H,9-14,16H2,1-3H3,(H,33,36)/t20-,22-,23-,24+,28+/m0/s1
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| InChIKey |
QDNYUOBQNJAFJZ-KCNRKALRSA-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