General Information of the Compound
| Compound ID |
CP0527186
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| Compound Name |
ethyl 4-[2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C30H39N7O7
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| Molecular Weight |
609.684
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H39N7O7/c1-2-43-30(42)35-16-14-34(15-17-35)25(38)19-31-28(40)23-18-27(37(33-23)22-10-4-3-5-11-22)44-20-26(39)36-13-7-12-24(36)29(41)32-21-8-6-9-21/h3-5,10-11,18,21,24H,2,6-9,12-17,19-20H2,1H3,(H,31,40)(H,32,41)/t24-/m0/s1
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| InChIKey |
UDUMLBQHGUPVHT-DEOSSOPVSA-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