General Information of the Compound
| Compound ID |
CP0566155
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| Compound Name |
US9133168, Example 29b
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| Structure |
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| Formula |
C20H24N4O3
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| Molecular Weight |
368.437
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| Canonical SMILES |
C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOC(C)C1
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| InChI |
InChI=1S/C20H24N4O3/c1-13-9-15-5-3-4-6-16(15)24(13)20(26)10-17-21-18(11-19(25)22-17)23-7-8-27-14(2)12-23/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,21,22,25)/t13-,14?/m0/s1
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| InChIKey |
CJZBXZXEUIUKLZ-LSLKUGRBSA-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