General Information of the Compound
| Compound ID |
CP0882215
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| Compound Name |
2-(4-Chloro-benzylamino)-N-[2-(1H-indol-3-yl)-1-phenethylcarbamoyl-ethyl]-propionamide
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| Structure |
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| Formula |
C29H31ClN4O2
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| Molecular Weight |
503.046
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| Canonical SMILES |
C[C@H](NCc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C29H31ClN4O2/c1-20(32-18-22-11-13-24(30)14-12-22)28(35)34-27(17-23-19-33-26-10-6-5-9-25(23)26)29(36)31-16-15-21-7-3-2-4-8-21/h2-14,19-20,27,32-33H,15-18H2,1H3,(H,31,36)(H,34,35)/t20-,27-/m0/s1
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| InChIKey |
IIKQMMXJROTBPV-DCFHFQCYSA-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