General Information of the Compound
| Compound ID |
CP0466641
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| Compound Name |
US8906911, 55
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| Structure |
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| Formula |
C29H37F6N3O3
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| Molecular Weight |
589.621
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| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H37F6N3O3/c1-36(24-5-7-41-16-25(24)40-2)21-9-17-4-3-6-27(17,13-21)26(39)38-15-22-12-23(38)14-37(22)20-10-18(28(30,31)32)8-19(11-20)29(33,34)35/h8,10-11,17,21-25H,3-7,9,12-16H2,1-2H3/t17-,21-,22+,23+,24+,25-,27-/m1/s1
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| InChIKey |
KBPVESMWPAKGTC-JYALHPGCSA-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