General Information of the Compound
| Compound ID |
CP0539512
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| Compound Name |
US10028961, Compound 135
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| Structure |
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| Formula |
C23H23F3N6
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| Molecular Weight |
440.473
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| Canonical SMILES |
C[C@@H](Nc1nc(NC2CCc3ccccc23)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C23H23F3N6/c1-13(14-9-10-14)27-21-30-20(18-7-4-8-19(28-18)23(24,25)26)31-22(32-21)29-17-12-11-15-5-2-3-6-16(15)17/h2-8,13-14,17H,9-12H2,1H3,(H2,27,29,30,31,32)/t13-,17?/m1/s1
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| InChIKey |
SNCVLWHFGQJUFT-FWJOYPJLSA-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