General Information of the Compound
| Compound ID |
CP0014520
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| Compound Name |
[(1S)-6-[5-[3-(hydroxymethyl)phenyl]-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 |
C23H19N5O
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| Molecular Weight |
381.439
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| Canonical SMILES |
OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12
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| InChI |
InChI=1S/C23H19N5O/c24-12-26-20-7-6-15-4-5-17(9-18(15)20)22-21-19(10-25-23(21)28-13-27-22)16-3-1-2-14(8-16)11-29/h1-5,8-10,13,20,26,29H,6-7,11H2,(H,25,27,28)/t20-/m0/s1
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| InChIKey |
INXMROPBPUKGSQ-FQEVSTJZSA-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