General Information of the Compound
| Compound ID |
CP0428548
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| Compound Name |
(1-methylcyclopropyl) N-[5-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-4-[(2-chloro-6-fluorobenzoyl)-(trideuteriomethyl)amino]phenyl]-1-propan-2-ylpyrazol-3-yl]carbamate
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| Structure |
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| Formula |
C30H33ClFN5O3
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| Molecular Weight |
569.0953053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)OC2(C)CC2)nn1C(C)C
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| InChI |
InChI=1S/C30H33ClFN5O3/c1-17(2)37-24(14-26(34-37)33-29(39)40-30(3)10-11-30)18-8-9-23(25(13-18)36-15-19-12-20(19)16-36)35(4)28(38)27-21(31)6-5-7-22(27)32/h5-9,13-14,17,19-20H,10-12,15-16H2,1-4H3,(H,33,34,39)/i4D3
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| InChIKey |
LKZGNCDKHKKKKN-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