General Information of the Compound
| Compound ID |
CP0519977
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| Compound Name |
CHEMBL4074570
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| Formula |
C20H21F2N3O2
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| Molecular Weight |
373.403
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| Canonical SMILES |
O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(F)c(F)c2)CC1
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| InChI |
InChI=1S/C20H21F2N3O2/c21-17-2-1-14(8-18(17)22)7-13-3-5-20(26,6-4-13)10-16-9-19(27-25-16)15-11-23-24-12-15/h1-2,8-9,11-13,26H,3-7,10H2,(H,23,24)/t13-,20+
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| InChIKey |
WGLSGNKFELSXRI-NXHRWCDGSA-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