General Information of the Compound
| Compound ID |
CP0346929
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| Compound Name |
(1S,2S,3R,4R)-3-[[5-chloro-2-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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| Structure |
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| Formula |
C23H25ClN6O2
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| Molecular Weight |
452.946
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| Canonical SMILES |
CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O
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| InChI |
InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1
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| InChIKey |
AHLIOYKRAKANRB-BBNYVJOESA-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