General Information of the Compound
| Compound ID |
CP0564248
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| Compound Name |
N-[(2R)-1-[(1-cyanocyclopropyl)amino]-1-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropan-2-yl]-3,3-dimethylbutanamide
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| Formula |
C22H32N6O4S
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| Molecular Weight |
476.603
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| Canonical SMILES |
CC(C)(C)CC(=O)N[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)C(=O)NC1(CC1)C#N
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| InChI |
InChI=1S/C22H32N6O4S/c1-21(2,3)14-19(29)25-17(20(30)26-22(16-23)7-8-22)15-33(31,32)28-12-10-27(11-13-28)18-6-4-5-9-24-18/h4-6,9,17H,7-8,10-15H2,1-3H3,(H,25,29)(H,26,30)/t17-/m0/s1
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| InChIKey |
SJKOGFYCCHOYII-KRWDZBQOSA-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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