General Information of the Compound
| Compound ID |
CP0575631
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| Compound Name |
US9062048, 32
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| Formula |
C27H38F3N5O2
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| Molecular Weight |
521.628
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| Canonical SMILES |
CCCC(O)(CCC)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C27H38F3N5O2/c1-3-11-26(37,12-4-2)18-5-8-21(9-6-18)35-15-20(16-35)34-24(36)14-31-25-22-13-19(27(28,29)30)7-10-23(22)32-17-33-25/h7,10,13,17-18,20-21,37H,3-6,8-9,11-12,14-16H2,1-2H3,(H,34,36)(H,31,32,33)/t18-,21+
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| InChIKey |
KHBXJLWHCNLVET-RVWIWJKTSA-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