General Information of the Compound
| Compound ID |
CP0528609
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| Compound Name |
(2R)-2-[(4-benzhydrylpiperazine-1-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C24H32N6O3
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| Molecular Weight |
452.559
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| Canonical SMILES |
NC(N)=NCCC[C@@H](NC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C24H32N6O3/c25-23(26)27-13-7-12-20(22(31)32)28-24(33)30-16-14-29(15-17-30)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H,28,33)(H,31,32)(H4,25,26,27)/t20-/m1/s1
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| InChIKey |
IVISQVQWPLFQDL-HXUWFJFHSA-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