General Information of the Compound
| Compound ID |
CP0240177
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C16H16N4O2
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| Molecular Weight |
296.33
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| Canonical SMILES |
O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C16H16N4O2/c17-9-12-5-3-7-20(12)15(21)10-18-16(22)14-8-11-4-1-2-6-13(11)19-14/h1-2,4,6,8,12,19H,3,5,7,10H2,(H,18,22)/t12-/m0/s1
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| InChIKey |
DLKKIDNRLYBRGP-LBPRGKRZSA-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