General Information of the Compound
| Compound ID |
CP0879600
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| Compound Name |
4-Methyl-pentanoic acid [1-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-amide
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| Structure |
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| Formula |
C28H33N5O3
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| Molecular Weight |
487.604
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| Canonical SMILES |
CC(C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C28H33N5O3/c1-17(2)11-12-26(34)32-25(14-19-16-31-23-10-6-4-8-21(19)23)28(36)33-24(27(29)35)13-18-15-30-22-9-5-3-7-20(18)22/h3-10,15-17,24-25,30-31H,11-14H2,1-2H3,(H2,29,35)(H,32,34)(H,33,36)/t24-,25-/m0/s1
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| InChIKey |
OMCUMKUZXWFIDW-DQEYMECFSA-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