General Information of the Compound
| Compound ID |
CP0446050
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| Compound Name |
CHEMBL4570072
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| Formula |
C47H52F3N7O7
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| Molecular Weight |
883.969
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| Canonical SMILES |
OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCN(CC4CCC(CC4)Oc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)ccc12
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| InChI |
InChI=1S/C47H52F3N7O7/c48-47(49,50)32-3-1-2-31(23-32)42(60)53-46-51-38-22-30(8-15-39(38)56(46)33-9-4-29(27-58)5-10-33)26-55-20-18-54(19-21-55)25-28-6-11-34(12-7-28)64-35-13-14-36-37(24-35)45(63)57(44(36)62)40-16-17-41(59)52-43(40)61/h1-3,8,13-15,22-24,28-29,33-34,40,58H,4-7,9-12,16-21,25-27H2,(H,51,53,60)(H,52,59,61)/t28?,29-,33+,34?,40?
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| InChIKey |
GJIIIDVZDSQGAB-XZRXIYCMSA-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