General Information of the Compound
| Compound ID |
CP0414282
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| Compound Name |
US9206173, 6
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| Structure |
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| Formula |
C25H25ClF3N5O2
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| Molecular Weight |
519.955
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| Canonical SMILES |
C[C@H](Nc1nc2CCN(Cc2c(=O)n1N(C)C)C(=O)c1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H25ClF3N5O2/c1-15(16-4-8-18(9-5-16)25(27,28)29)30-24-31-21-12-13-33(14-20(21)23(36)34(24)32(2)3)22(35)17-6-10-19(26)11-7-17/h4-11,15H,12-14H2,1-3H3,(H,30,31)/t15-/m0/s1
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| InChIKey |
RKEYNFCXIQULBK-HNNXBMFYSA-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