General Information of the Compound
| Compound ID |
CP0570244
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| Compound Name |
4-[methyl-[2-[pentan-3-yl-[[3-[[3-(phenylcarbamoyl)-1H-indol-2-yl]carbamoyl]phenyl]methyl]amino]ethyl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C35H41N5O5
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| Molecular Weight |
611.743
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1[nH]c2ccccc2c1C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C35H41N5O5/c1-4-27(5-2)40(21-20-39(3)30(41)18-19-31(42)43)23-24-12-11-13-25(22-24)34(44)38-33-32(28-16-9-10-17-29(28)37-33)35(45)36-26-14-7-6-8-15-26/h6-17,22,27,37H,4-5,18-21,23H2,1-3H3,(H,36,45)(H,38,44)(H,42,43)
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| InChIKey |
OSXKQACZAPGIKC-UHFFFAOYSA-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