General Information of the Compound
| Compound ID |
CP0575054
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-[[2-methoxy-5-(3-tricyclo[3.1.0.01,3]hexanyl)phenyl]methylamino]-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C36H46N2O4
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| Molecular Weight |
570.774
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| Canonical SMILES |
COc1ccc(cc1CN[C@H]1[C@@H]([C@H](N([C@H]1c1ccccc1)C(=O)C1CCCCC1)C(O)=O)C(C)(C)C)C12CC11CC1C2
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| InChI |
InChI=1S/C36H46N2O4/c1-34(2,3)28-29(37-20-24-17-25(15-16-27(24)42-4)35-18-26-19-36(26,35)21-35)30(22-11-7-5-8-12-22)38(31(28)33(40)41)32(39)23-13-9-6-10-14-23/h5,7-8,11-12,15-17,23,26,28-31,37H,6,9-10,13-14,18-21H2,1-4H3,(H,40,41)/t26?,28-,29-,30-,31-,35?,36?/m0/s1
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| InChIKey |
VLGZVQZESREATL-APHUYILGSA-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