General Information of the Compound
| Compound ID |
CP0864172
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| Compound Name |
(S)-ethyl 1-(2-(3-(4-bromophenyl)ureido)-3-(1H-indol-3-yl)propanoyl)piperidine-4-carboxylate
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| Structure |
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| Formula |
C26H29BrN4O4
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| Molecular Weight |
541.446
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| Canonical SMILES |
CCOC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C26H29BrN4O4/c1-2-35-25(33)17-11-13-31(14-12-17)24(32)23(15-18-16-28-22-6-4-3-5-21(18)22)30-26(34)29-20-9-7-19(27)8-10-20/h3-10,16-17,23,28H,2,11-15H2,1H3,(H2,29,30,34)/t23-/m0/s1
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| InChIKey |
RULNAVVAQPAYPZ-QHCPKHFHSA-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