General Information of the Compound
| Compound ID |
CP0400726
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| Compound Name |
US8906911, 41
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| Structure |
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| Formula |
C27H37F3N4O3
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| Molecular Weight |
522.612
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| Canonical SMILES |
CO[C@@H]1COCC[C@H]1NC1C[C@H]2CCC[C@]2(C1)C(=O)N1[C@H]2CC[C@@H]1CN(C2)c1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C27H37F3N4O3/c1-36-23-16-37-10-7-22(23)32-19-11-17-3-2-8-26(17,13-19)25(35)34-20-4-5-21(34)15-33(14-20)24-12-18(6-9-31-24)27(28,29)30/h6,9,12,17,19-23,32H,2-5,7-8,10-11,13-16H2,1H3/t17-,19?,20-,21+,22-,23-,26-/m1/s1
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| InChIKey |
NZMHOAOQKJHRCU-BTLOGTHPSA-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