General Information of the Compound
| Compound ID |
CP0427165
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| Compound Name |
(2R)-2-[[4-(3-chlorophenyl)benzoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C19H21ClN4O3
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| Molecular Weight |
388.855
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| Canonical SMILES |
NC(N)=NCCC[C@@H](NC(=O)c1ccc(cc1)-c1cccc(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C19H21ClN4O3/c20-15-4-1-3-14(11-15)12-6-8-13(9-7-12)17(25)24-16(18(26)27)5-2-10-23-19(21)22/h1,3-4,6-9,11,16H,2,5,10H2,(H,24,25)(H,26,27)(H4,21,22,23)/t16-/m1/s1
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| InChIKey |
KSUDJVTZGHCAMM-MRXNPFEDSA-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