General Information of the Compound
| Compound ID |
CP0512200
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| Compound Name |
US8653125, Ib-1
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| Formula |
C21H21F2N5O
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| Molecular Weight |
397.429
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| Canonical SMILES |
Fc1cccc(N[C@H]2CC[C@H](CC2)C(=O)Nc2ccn(n2)-c2ccccc2F)n1
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| InChI |
InChI=1S/C21H21F2N5O/c22-16-4-1-2-5-17(16)28-13-12-20(27-28)26-21(29)14-8-10-15(11-9-14)24-19-7-3-6-18(23)25-19/h1-7,12-15H,8-11H2,(H,24,25)(H,26,27,29)/t14-,15+
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| InChIKey |
BTAFTIZFQLUJSL-GASCZTMLSA-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