General Information of the Compound
| Compound ID |
CP0408961
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| Compound Name |
((3S,4S)-3-((4-(allyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone
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| Structure |
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| Formula |
C30H41N5O
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| Molecular Weight |
487.692
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| Canonical SMILES |
C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ncccn1
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| InChI |
InChI=1S/C30H41N5O/c1-2-18-35(30-31-16-9-17-32-30)27-14-19-33(20-15-27)21-26-22-34(29(36)25-12-7-4-8-13-25)23-28(26)24-10-5-3-6-11-24/h2-3,5-6,9-11,16-17,25-28H,1,4,7-8,12-15,18-23H2/t26-,28+/m0/s1
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| InChIKey |
PDHAEKCRTLZPTQ-XTEPFMGCSA-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