General Information of the Compound
| Compound ID |
CP0947120
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| Compound Name |
(S)-4-(3-ethoxy-4-oxo-2-(1-(4-(trifluoromethyl)phenyl)ethylamino)-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
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| Structure |
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| Formula |
C26H24F3N5O3
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| Molecular Weight |
511.504
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| Canonical SMILES |
CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2
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| InChI |
InChI=1S/C26H24F3N5O3/c1-3-37-34-24(36)21-15-33(23(35)19-6-4-17(14-30)5-7-19)13-12-22(21)32-25(34)31-16(2)18-8-10-20(11-9-18)26(27,28)29/h4-11,16H,3,12-13,15H2,1-2H3,(H,31,32)/t16-/m0/s1
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| InChIKey |
PKZJUTACMITOGZ-INIZCTEOSA-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