General Information of the Compound
| Compound ID |
CP0501245
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C21H34N8O3
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| Molecular Weight |
446.556
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| Canonical SMILES |
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C21H34N8O3/c1-12(2)17(28-13(3)30)20(32)29-16(5-4-10-26-21(24)25)19(31)27-11-14-6-8-15(9-7-14)18(22)23/h6-9,12,16-17H,4-5,10-11H2,1-3H3,(H3,22,23)(H,27,31)(H,28,30)(H,29,32)(H4,24,25,26)/t16-,17-/m0/s1
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| InChIKey |
HLJULBQLHBDKQC-IRXDYDNUSA-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