General Information of the Compound
| Compound ID |
CP0565819
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| Compound Name |
ethyl 4-[(2S)-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]pentanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C33H45N7O7
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| Molecular Weight |
651.765
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| Canonical SMILES |
CCC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCC
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| InChI |
InChI=1S/C33H45N7O7/c1-3-10-25(32(44)37-17-19-38(20-18-37)33(45)46-4-2)35-30(42)26-21-29(40(36-26)24-13-6-5-7-14-24)47-22-28(41)39-16-9-15-27(39)31(43)34-23-11-8-12-23/h5-7,13-14,21,23,25,27H,3-4,8-12,15-20,22H2,1-2H3,(H,34,43)(H,35,42)/t25-,27-/m0/s1
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| InChIKey |
SGVVXXNCQPFEJU-BDYUSTAISA-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