General Information of the Compound
| Compound ID |
CP0525479
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[5-[2-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C31H41N7O9
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| Molecular Weight |
655.709
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| Canonical SMILES |
CCNC(=O)[C@@H]1CCCN1C(=O)COc1cc(nn1-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC
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| InChI |
InChI=1S/C31H41N7O9/c1-3-32-29(43)24-11-8-14-37(24)25(39)20-47-26-19-23(34-38(26)21-9-6-5-7-10-21)28(42)33-22(12-13-27(40)41)30(44)35-15-17-36(18-16-35)31(45)46-4-2/h5-7,9-10,19,22,24H,3-4,8,11-18,20H2,1-2H3,(H,32,43)(H,33,42)(H,40,41)/t22-,24-/m0/s1
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| InChIKey |
KWCKTXOCWXSWQQ-UPVQGACJSA-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