General Information of the Compound
| Compound ID |
CP0947118
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| Compound Name |
6-(4-chlorobenzoyl)-3-propargyl-2-(S)-{1-[4-(trifluoromethyl)phenyl]ethylamino}-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-(3H)-one hydrochloride
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| Structure |
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| Formula |
C26H23Cl2F3N4O2
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| Molecular Weight |
551.396
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| Canonical SMILES |
C#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.Cl
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| InChI |
InChI=1S/C26H22ClF3N4O2.ClH/c1-3-13-34-24(36)21-15-33(23(35)18-6-10-20(27)11-7-18)14-12-22(21)32-25(34)31-16(2)17-4-8-19(9-5-17)26(28,29)30;/h1,4-11,16H,12-15H2,2H3,(H,31,32);1H/t16-;/m0./s1
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| InChIKey |
MIDAYWMQHTVYSD-NTISSMGPSA-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