General Information of the Compound
| Compound ID |
CP0494907
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| Compound Name |
methyl N-(cyclopentylmethyl)-N-[1-[[(3S,4S)-1-(naphthalene-1-carbonyl)-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]carbamate
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| Structure |
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| Formula |
C35H43N3O3
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| Molecular Weight |
553.747
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| Canonical SMILES |
COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2cccc3ccccc23)CC1
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| InChI |
InChI=1S/C35H43N3O3/c1-41-35(40)38(22-26-10-5-6-11-26)30-18-20-36(21-19-30)23-29-24-37(25-33(29)28-12-3-2-4-13-28)34(39)32-17-9-15-27-14-7-8-16-31(27)32/h2-4,7-9,12-17,26,29-30,33H,5-6,10-11,18-25H2,1H3/t29-,33+/m0/s1
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| InChIKey |
XYUPLSIDDGFHPC-RYCFQHDISA-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