General Information of the Compound
| Compound ID |
CP0546119
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| Compound Name |
US9163012, 75
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| Structure |
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| Formula |
C25H29N5O3
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| Molecular Weight |
447.539
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| Canonical SMILES |
Cc1nc2cc(ccc2n1[C@H]1CCN(C1)C(=O)OC1C2CC3CC1CC(C3)(C2)C(N)=O)C#N
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| InChI |
InChI=1S/C25H29N5O3/c1-14-28-20-8-15(12-26)2-3-21(20)30(14)19-4-5-29(13-19)24(32)33-22-17-6-16-7-18(22)11-25(9-16,10-17)23(27)31/h2-3,8,16-19,22H,4-7,9-11,13H2,1H3,(H2,27,31)/t16?,17?,18?,19-,22?,25?/m0/s1
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| InChIKey |
FKBOORPZGSTEFE-XXWKCPHFSA-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