General Information of the Compound
| Compound ID |
CP0952932
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| Compound Name |
4-[[(3S,4S)-3-(1-cyclopentyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-methyl-pyrrolidin-1-yl]methyl]benzenecarbohydroxamic acid
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| Structure |
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| Formula |
C23H28N6O3
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| Molecular Weight |
436.516
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(C(=O)NO)cc2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1
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| InChI |
InChI=1S/C23H28N6O3/c1-14-11-28(12-15-6-8-16(9-7-15)22(30)27-32)13-19(14)20-25-21-18(23(31)26-20)10-24-29(21)17-4-2-3-5-17/h6-10,14,17,19,32H,2-5,11-13H2,1H3,(H,27,30)(H,25,26,31)/t14-,19-/m1/s1
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| InChIKey |
UWLURVWZRQXQEM-AUUYWEPGSA-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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