General Information of the Compound
| Compound ID |
CP0770851
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| Compound Name |
N-(2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(1-isopropyl-3-(3-methylureido)-1H-pyrazol-5-yl)phenyl)-2-chloro-6-fluoro-N[2H]-methylbenzamide
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| Structure |
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| Formula |
C27H30ClFN6O2
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| Molecular Weight |
528.0463053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(NC(=O)NC)nn2C(C)C)cc1N1CC2CC2C1
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| InChI |
InChI=1S/C27H30ClFN6O2/c1-15(2)35-22(12-24(32-35)31-27(37)30-3)16-8-9-21(23(11-16)34-13-17-10-18(17)14-34)33(4)26(36)25-19(28)6-5-7-20(25)29/h5-9,11-12,15,17-18H,10,13-14H2,1-4H3,(H2,30,31,32,37)/i4D3
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| InChIKey |
CMOXGPDNZHHEGP-GKOSEXJESA-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