General Information of the Compound
| Compound ID |
CP0575468
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| Compound Name |
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
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| Structure |
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| Formula |
C37H42N10O6S
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| Molecular Weight |
754.874
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C37H42N10O6S/c38-26(16-21-7-11-24(48)12-8-21)33(51)45-29(17-22-9-13-25(49)14-10-22)34(52)46-30(18-23-19-41-20-43-23)35(53)44-28(5-3-15-42-37(39)40)32(50)36-47-27-4-1-2-6-31(27)54-36/h1-2,4,6-14,19-20,26,28-30,48-49H,3,5,15-18,38H2,(H,41,43)(H,44,53)(H,45,51)(H,46,52)(H4,39,40,42)/t26-,28-,29-,30-/m0/s1
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| InChIKey |
WTBWSLUWVIEISS-SYKYGTKKSA-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