General Information of the Compound
| Compound ID |
CP0380690
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| Compound Name |
(S)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(S)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-amide} 1-[(3-carbamoyl-phenyl)-amide]
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| Structure |
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| Formula |
C34H35N5O4
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| Molecular Weight |
577.685
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C34H35N5O4/c1-38(22-23-9-3-2-4-10-23)33(42)29(20-24-16-17-25-11-5-6-12-26(25)19-24)37-32(41)30-15-8-18-39(30)34(43)36-28-14-7-13-27(21-28)31(35)40/h2-7,9-14,16-17,19,21,29-30H,8,15,18,20,22H2,1H3,(H2,35,40)(H,36,43)(H,37,41)/t29-,30-/m0/s1
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| InChIKey |
LAHQYYRYGAYWRW-KYJUHHDHSA-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