General Information of the Compound
| Compound ID |
CP0481428
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| Compound Name |
methyl N-[1-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
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| Structure |
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| Formula |
C31H43N3O2
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| Molecular Weight |
489.704
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| Canonical SMILES |
COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1
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| InChI |
InChI=1S/C31H43N3O2/c1-36-31(35)34(21-26-12-8-9-13-26)29-16-18-32(19-17-29)22-28-23-33(20-25-10-4-2-5-11-25)24-30(28)27-14-6-3-7-15-27/h2-7,10-11,14-15,26,28-30H,8-9,12-13,16-24H2,1H3/t28-,30+/m0/s1
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| InChIKey |
GDFLQYPZLFZIII-MFMCTBQISA-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