General Information of the Compound
| Compound ID |
CP0004519
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| Compound Name |
[(1S,3R)-3-hydroxy-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
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| Structure |
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| Formula |
C16H13N5O
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| Molecular Weight |
291.314
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| Canonical SMILES |
O[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C16H13N5O/c17-7-19-13-6-14(22)10-2-1-9(5-12(10)13)15-11-3-4-18-16(11)21-8-20-15/h1-5,8,13-14,19,22H,6H2,(H,18,20,21)/t13-,14+/m0/s1
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| InChIKey |
OSNRNYVOCOFEIX-UONOGXRCSA-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