General Information of the Compound
| Compound ID |
CP0406768
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| Compound Name |
US9163012, 70
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| Formula |
C25H29N5O4
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| Molecular Weight |
463.538
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| Canonical SMILES |
Cn1c2cc(ccc2n([C@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O)C#N
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| InChI |
InChI=1S/C25H29N5O4/c1-28-20-8-14(12-26)2-3-19(20)30(23(28)32)18-4-5-29(13-18)24(33)34-21-16-6-15-7-17(21)11-25(9-15,10-16)22(27)31/h2-3,8,15-18,21H,4-7,9-11,13H2,1H3,(H2,27,31)/t15?,16?,17?,18-,21-,25-/m0/s1
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| InChIKey |
BULOUEFTKDRHGU-CYJWGSENSA-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