General Information of the Compound
| Compound ID |
CP0431347
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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-propyl-1H-imidazole-4-carboxylic acid
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| Structure |
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| Formula |
C30H42N6O4
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| Molecular Weight |
550.704
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| Canonical SMILES |
CCCc1[nH]c(nc1C(O)=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1
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| InChI |
InChI=1S/C30H42N6O4/c1-4-11-23-26(29(38)39)35-27(32-23)24(17-20-18-31-22-13-8-7-12-21(20)22)33-28(37)25(16-19(2)3)34-30(40)36-14-9-5-6-10-15-36/h7-8,12-13,18-19,24-25,31H,4-6,9-11,14-17H2,1-3H3,(H,32,35)(H,33,37)(H,34,40)(H,38,39)/t24-,25+/m1/s1
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| InChIKey |
XQCNJQIHUCCULL-RPBOFIJWSA-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