General Information of the Compound
| Compound ID |
CP0013445
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| Compound Name |
N-[(1R,3S)-3-(cyanoamino)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
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| Structure |
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| Formula |
C17H16N6O2S
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| Molecular Weight |
368.422
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| Canonical SMILES |
CS(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C17H16N6O2S/c1-26(24,25)23-15-7-14(20-8-18)13-6-10(2-3-11(13)15)16-12-4-5-19-17(12)22-9-21-16/h2-6,9,14-15,20,23H,7H2,1H3,(H,19,21,22)/t14-,15+/m0/s1
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| InChIKey |
UEKZKIXGZBZNSD-LSDHHAIUSA-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