General Information of the Compound
| Compound ID |
CP0125381
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| Compound Name |
(1S,2S,3R,4R)-3-[[5-chloro-2-[[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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| Structure |
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| Formula |
C20H25ClN8O
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| Molecular Weight |
428.928
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| Canonical SMILES |
NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(C[C@H]3CCCN3)c2)ncc1Cl
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| InChI |
InChI=1S/C20H25ClN8O/c21-15-8-24-20(26-14-7-25-29(10-14)9-13-2-1-5-23-13)28-19(15)27-17-12-4-3-11(6-12)16(17)18(22)30/h3-4,7-8,10-13,16-17,23H,1-2,5-6,9H2,(H2,22,30)(H2,24,26,27,28)/t11-,12+,13-,16+,17-/m1/s1
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| InChIKey |
NZSZVQMHSLFGDA-BBAXIROVSA-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