General Information of the Compound
| Compound ID |
CP0400740
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| Compound Name |
4-methoxybenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate
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| Structure |
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| Formula |
C34H45N3O5
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| Molecular Weight |
575.75
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| Canonical SMILES |
COc1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1
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| InChI |
InChI=1S/C34H45N3O5/c1-3-19-37(33(39)42-24-26-13-15-31(41-2)16-14-26)30-17-20-35(21-18-30)22-29-23-36(32(38)27-9-7-8-10-27)25-34(29,40)28-11-5-4-6-12-28/h3-6,11-16,27,29-30,40H,1,7-10,17-25H2,2H3/t29-,34-/m0/s1
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| InChIKey |
HSTRPZBEJNYABI-DODOAAEWSA-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