General Information of the Compound
| Compound ID |
CP0430775
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| Compound Name |
(S)-N-(3-bromophenyl)-4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-cyano-2-methylpiperazine-1-carboximidamide
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| Structure |
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| Formula |
C19H18BrClN8
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| Molecular Weight |
473.766
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| Canonical SMILES |
C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(Cl)c12
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| InChI |
InChI=1S/C19H18BrClN8/c1-12-9-28(18-16-15(21)8-23-17(16)25-11-26-18)5-6-29(12)19(24-10-22)27-14-4-2-3-13(20)7-14/h2-4,7-8,11-12H,5-6,9H2,1H3,(H,24,27)(H,23,25,26)/t12-/m0/s1
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| InChIKey |
CZFWUZDEOVCKHA-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