General Information of the Compound
| Compound ID |
CP0153576
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| Compound Name |
CHEMBL4580751
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| Formula |
C31H39F3N6O2
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| Molecular Weight |
584.687
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| Canonical SMILES |
O[C@H]1CC[C@H](CNC2C3CC4CC2CC(CNc2nc(NCc5ccccc5OC(F)(F)F)ncc2C#N)(C4)C3)CC1
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| InChI |
InChI=1S/C31H39F3N6O2/c32-31(33,34)42-26-4-2-1-3-21(26)16-37-29-38-17-24(14-35)28(40-29)39-18-30-11-20-9-22(12-30)27(23(10-20)13-30)36-15-19-5-7-25(41)8-6-19/h1-4,17,19-20,22-23,25,27,36,41H,5-13,15-16,18H2,(H2,37,38,39,40)/t19-,20?,22?,23?,25-,27?,30?
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| InChIKey |
HZKBCPGIZACHJD-DIRSZTFJSA-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