General Information of the Compound
| Compound ID |
CP0492625
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| Compound Name |
2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-5-methyl-1H-imidazole-4-carboxylic acid
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| Structure |
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| Formula |
C28H38N6O4
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| Molecular Weight |
522.65
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
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| InChI |
InChI=1S/C28H38N6O4/c1-17(2)14-23(32-28(38)34-12-8-4-5-9-13-34)26(35)31-22(25-30-18(3)24(33-25)27(36)37)15-19-16-29-21-11-7-6-10-20(19)21/h6-7,10-11,16-17,22-23,29H,4-5,8-9,12-15H2,1-3H3,(H,30,33)(H,31,35)(H,32,38)(H,36,37)/t22-,23+/m1/s1
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| InChIKey |
LKYMBBACLCTFOZ-PKTZIBPZSA-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