General Information of the Compound
| Compound ID |
CP0421336
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| Compound Name |
(R)-2-{[2-{(S)-1-[(Azepane-1-carbonyl)-amino]-3-methyl-butyl}-5-(1-methyl-1H-indol-3-ylmethyl)-oxazole-4-carbonyl]-amino}-3-pyridin-2-yl-propionic acid
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| Structure |
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| Formula |
C34H42N6O5
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| Molecular Weight |
614.747
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)N1CCCCCC1)c1nc(C(=O)N[C@H](Cc2ccccn2)C(O)=O)c(Cc2cn(C)c3ccccc23)o1
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| InChI |
InChI=1S/C34H42N6O5/c1-22(2)18-26(37-34(44)40-16-10-4-5-11-17-40)32-38-30(31(41)36-27(33(42)43)20-24-12-8-9-15-35-24)29(45-32)19-23-21-39(3)28-14-7-6-13-25(23)28/h6-9,12-15,21-22,26-27H,4-5,10-11,16-20H2,1-3H3,(H,36,41)(H,37,44)(H,42,43)/t26-,27+/m0/s1
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| InChIKey |
AUUJKEHPADNLED-RRPNLBNLSA-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