General Information of the Compound
| Compound ID |
CP0514700
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| Compound Name |
benzyl N-[1-[(4S)-4-(cyclobutanecarbonylamino)-4-phenylbutan-2-yl]piperidin-4-yl]-N-ethylcarbamate
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| Structure |
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| Formula |
C30H41N3O3
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| Molecular Weight |
491.676
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C30H41N3O3/c1-3-33(30(35)36-22-24-11-6-4-7-12-24)27-17-19-32(20-18-27)23(2)21-28(25-13-8-5-9-14-25)31-29(34)26-15-10-16-26/h4-9,11-14,23,26-28H,3,10,15-22H2,1-2H3,(H,31,34)/t23?,28-/m0/s1
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| InChIKey |
HUXMKUMBJXCMBH-WOKNPCPGSA-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