General Information of the Compound
| Compound ID |
CP0453442
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| Compound Name |
cyclohexyl-[(3S,4S)-3-phenyl-4-[[4-(N-prop-2-enylanilino)piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C32H43N3O
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| Molecular Weight |
485.716
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| Canonical SMILES |
C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccccc1
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| InChI |
InChI=1S/C32H43N3O/c1-2-20-35(29-16-10-5-11-17-29)30-18-21-33(22-19-30)23-28-24-34(32(36)27-14-8-4-9-15-27)25-31(28)26-12-6-3-7-13-26/h2-3,5-7,10-13,16-17,27-28,30-31H,1,4,8-9,14-15,18-25H2/t28-,31+/m0/s1
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| InChIKey |
KDSAKVKHBZUHMM-QCENPCRXSA-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