General Information of the Compound
| Compound ID |
CP0951345
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| Compound Name |
(S)-N-tert-butyl-2-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H30N6O3
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| Molecular Weight |
474.565
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| Canonical SMILES |
Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C26H30N6O3/c1-15-19(13-27-32(15)25-28-20-11-7-10-18(20)22(33)29-25)24(35)31-14-17-9-6-5-8-16(17)12-21(31)23(34)30-26(2,3)4/h5-6,8-9,13,21H,7,10-12,14H2,1-4H3,(H,30,34)(H,28,29,33)/t21-/m0/s1
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| InChIKey |
DIXYLHWYXOMWHH-NRFANRHFSA-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