General Information of the Compound
| Compound ID |
CP0910409
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| Compound Name |
6-(1H-benzoimidazole-2-carbonyl)-3-(3-butynyl)-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H25F3N6O2
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| Molecular Weight |
534.542
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| Canonical SMILES |
C#CCCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1nc3ccccc3[nH]1)CC2
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| InChI |
InChI=1S/C28H25F3N6O2/c1-3-4-14-37-25(38)20-16-36(26(39)24-33-22-7-5-6-8-23(22)34-24)15-13-21(20)35-27(37)32-17(2)18-9-11-19(12-10-18)28(29,30)31/h1,5-12,17H,4,13-16H2,2H3,(H,32,35)(H,33,34)/t17-/m0/s1
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| InChIKey |
FGRPFJFQVPSNQU-KRWDZBQOSA-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