General Information of the Compound
| Compound ID |
CP0962346
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| Compound Name |
US9163012, 66
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| Formula |
C24H27N5O4
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| Molecular Weight |
449.511
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| Canonical SMILES |
N#Cc1ccc2c(c1)[nH]c(=O)n2[C@@H]1CCN(C(=O)O[C@H]2C3CC4CC2C[C@](C(N)=O)(C4)C3)C1
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| InChI |
InChI=1S/C24H27N5O4/c25-11-13-1-2-19-18(7-13)27-22(31)29(19)17-3-4-28(12-17)23(32)33-20-15-5-14-6-16(20)10-24(8-14,9-15)21(26)30/h1-2,7,14-17,20H,3-6,8-10,12H2,(H2,26,30)(H,27,31)/t14?,15?,16?,17-,20-,24-/m1/s1
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| InChIKey |
PETROJIKXJLHCZ-YALMGZAISA-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