General Information of the Compound
| Compound ID |
CP0393830
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| Compound Name |
(2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methyl-2-[[(2S)-3-(4-phenylmethoxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]butanamide
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| Structure |
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| Formula |
C43H49N7O5S
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| Molecular Weight |
775.976
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C43H49N7O5S/c1-28(2)38(41(54)48-34(17-11-25-46-43(44)45)39(52)42-49-33-16-9-10-18-36(33)56-42)50-40(53)35(47-37(51)24-21-29-12-5-3-6-13-29)26-30-19-22-32(23-20-30)55-27-31-14-7-4-8-15-31/h3-10,12-16,18-20,22-23,28,34-35,38H,11,17,21,24-27H2,1-2H3,(H,47,51)(H,48,54)(H,50,53)(H4,44,45,46)/t34-,35-,38-/m0/s1
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| InChIKey |
ZFLBBXPMYWUWNU-XFKJAIHHSA-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