General Information of the Compound
| Compound ID |
CP0384857
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| Compound Name |
((3S,4S)-3-((4-(allyl(pyridin-3-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone
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| Structure |
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| Formula |
C31H42N4O
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| Molecular Weight |
486.704
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| Canonical SMILES |
C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1cccnc1
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| InChI |
InChI=1S/C31H42N4O/c1-2-18-35(29-14-9-17-32-21-29)28-15-19-33(20-16-28)22-27-23-34(31(36)26-12-7-4-8-13-26)24-30(27)25-10-5-3-6-11-25/h2-3,5-6,9-11,14,17,21,26-28,30H,1,4,7-8,12-13,15-16,18-20,22-24H2/t27-,30+/m0/s1
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| InChIKey |
YTDFWQAHEGHFQA-BHBYDHKZSA-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