General Information of the Compound
| Compound ID |
CP0412922
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| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-methylpentanamide
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| Structure |
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| Formula |
C33H45N7O5S
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| Molecular Weight |
651.834
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| Canonical SMILES |
CC(C)CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C33H45N7O5S/c1-19(2)11-16-27(42)37-25(18-21-12-14-22(41)15-13-21)30(44)40-28(20(3)4)31(45)38-24(9-7-17-36-33(34)35)29(43)32-39-23-8-5-6-10-26(23)46-32/h5-6,8,10,12-15,19-20,24-25,28,41H,7,9,11,16-18H2,1-4H3,(H,37,42)(H,38,45)(H,40,44)(H4,34,35,36)/t24-,25-,28-/m0/s1
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| InChIKey |
SMVFTECPEJXGGF-VBOOUTDYSA-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