General Information of the Compound
| Compound ID |
CP0405672
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| Compound Name |
US10028961, Compound 234
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| Structure |
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| Formula |
C24H29F3N6
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| Molecular Weight |
458.532
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| Canonical SMILES |
C[C@@H](Nc1nc(NC2C3CC4CC(C3)CC2C4)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C24H29F3N6/c1-12(15-5-6-15)28-22-31-21(18-3-2-4-19(29-18)24(25,26)27)32-23(33-22)30-20-16-8-13-7-14(10-16)11-17(20)9-13/h2-4,12-17,20H,5-11H2,1H3,(H2,28,30,31,32,33)/t12-,13?,14?,16?,17?,20?/m1/s1
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| InChIKey |
IQUHQOIQGCZYCW-FGSOGITGSA-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