General Information of the Compound
| Compound ID |
CP0448977
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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-isopropyl-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C30H41N5O4S
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| Molecular Weight |
567.756
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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(s1)C(C)C
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| InChI |
InChI=1S/C30H41N5O4S/c1-18(2)15-23(33-30(39)35-13-9-5-6-10-14-35)27(36)32-24(16-20-17-31-22-12-8-7-11-21(20)22)28-34-25(29(37)38)26(40-28)19(3)4/h7-8,11-12,17-19,23-24,31H,5-6,9-10,13-16H2,1-4H3,(H,32,36)(H,33,39)(H,37,38)/t23-,24+/m0/s1
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| InChIKey |
LYENZBJLYOPUII-BJKOFHAPSA-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