General Information of the Compound
| Compound ID |
CP0493055
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| Compound Name |
4-nitrobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-(3-methoxyphenyl)pyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate
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| Structure |
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| Formula |
C34H44N4O7
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| Molecular Weight |
620.747
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| Canonical SMILES |
COc1cccc(c1)[C@@]1(O)CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1
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| InChI |
InChI=1S/C34H44N4O7/c1-3-17-37(33(40)45-23-25-11-13-30(14-12-25)38(42)43)29-15-18-35(19-16-29)21-28-22-36(32(39)26-7-4-5-8-26)24-34(28,41)27-9-6-10-31(20-27)44-2/h3,6,9-14,20,26,28-29,41H,1,4-5,7-8,15-19,21-24H2,2H3/t28-,34-/m0/s1
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| InChIKey |
ZBGSMTBXIWTIOV-GVYVVWIYSA-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