General Information of the Compound
| Compound ID |
CP0878037
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| Compound Name |
((S)-1-{(S)-1-[4-(3-Dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-3-methyl-butyl)-carbamic acid phenyl ester
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| Structure |
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| Formula |
C29H42N4O4
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| Molecular Weight |
510.679
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
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| InChI |
InChI=1S/C29H42N4O4/c1-22(2)19-27(31-29(35)37-26-9-6-5-7-10-26)28(34)30-24-15-17-33(21-24)20-23-11-13-25(14-12-23)36-18-8-16-32(3)4/h5-7,9-14,22,24,27H,8,15-21H2,1-4H3,(H,30,34)(H,31,35)/t24-,27-/m0/s1
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| InChIKey |
PTIGCKULWOAKIL-IGKIAQTJSA-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