General Information of the Compound
| Compound ID |
CP0423865
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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-oxazole-4-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C30H41N5O5
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| Molecular Weight |
551.688
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| Canonical SMILES |
CCOC(=O)c1nc(oc1C)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1
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| InChI |
InChI=1S/C30H41N5O5/c1-5-39-29(37)26-20(4)40-28(34-26)25(17-21-18-31-23-13-9-8-12-22(21)23)32-27(36)24(16-19(2)3)33-30(38)35-14-10-6-7-11-15-35/h8-9,12-13,18-19,24-25,31H,5-7,10-11,14-17H2,1-4H3,(H,32,36)(H,33,38)/t24-,25+/m0/s1
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| InChIKey |
QFKWZKDBLRTVOS-LOSJGSFVSA-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