General Information of the Compound
| Compound ID |
CP0910645
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| Compound Name |
Selitrectinib
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| Formula |
C20H21FN6O
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| Molecular Weight |
380.427
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| Canonical SMILES |
C[C@@H]1CCc2ncc(F)cc2[C@H]2CCN(C2)c2ccn3ncc(c3n2)C(=O)N1
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| InChI |
InChI=1S/C20H21FN6O/c1-12-2-3-17-15(8-14(21)9-22-17)13-4-6-26(11-13)18-5-7-27-19(25-18)16(10-23-27)20(28)24-12/h5,7-10,12-13H,2-4,6,11H2,1H3,(H,24,28)/t12-,13+/m1/s1
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| InChIKey |
QMVJRTDVKFVROZ-OLZOCXBDSA-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