General Information of the Compound
| Compound ID |
CP0378376
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| Compound Name |
2-[2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazol-4-yl]acetic acid
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| Structure |
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| Formula |
C29H39N5O5
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| Molecular Weight |
537.661
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(CC(O)=O)c(C)o1
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| InChI |
InChI=1S/C29H39N5O5/c1-18(2)14-24(33-29(38)34-12-8-4-5-9-13-34)27(37)31-25(28-32-23(16-26(35)36)19(3)39-28)15-20-17-30-22-11-7-6-10-21(20)22/h6-7,10-11,17-18,24-25,30H,4-5,8-9,12-16H2,1-3H3,(H,31,37)(H,33,38)(H,35,36)/t24-,25+/m0/s1
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| InChIKey |
ASULUOCEEQRDPS-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