General Information of the Compound
| Compound ID |
CP0472752
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| Compound Name |
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Structure |
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| Formula |
C27H47N11O5
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| Molecular Weight |
605.745
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C27H47N11O5/c1-15(2)13-21(38-23(41)18(28)5-3-11-34-26(30)31)25(43)36-19(6-4-12-35-27(32)33)24(42)37-20(22(29)40)14-16-7-9-17(39)10-8-16/h7-10,15,18-21,39H,3-6,11-14,28H2,1-2H3,(H2,29,40)(H,36,43)(H,37,42)(H,38,41)(H4,30,31,34)(H4,32,33,35)/t18-,19-,20+,21-/m0/s1
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| InChIKey |
SADYRRFJQXPSEH-BURNTYAHSA-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