Common name
blasticidin-S
Formula
C17H26N8O5
CAS
2079-00-7
IUPAC name
1-(4-amino-1,2-dihydro-2-oxopyrimidin-1-yl)-4-[(S)-3-amino-5-(1-methylguanidino)valeramido]-1,2,3,4-tetradeoxy-?-D-erythro-hex-2-enopyranuronic acid
SMILES
CN(CC[C@@H](CC(=N[C@H]1C=C[C@H](n2ccc(=N)nc2O)O[C@@H]1C(=O)O)O)N)C(=N)N
INCHI
InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1
Physicochemical Properties
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Lipophilicity
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Water Solubility
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Geometric
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Electrostatic
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Flexibility
Num. Rot. bonds: 10
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AgroPAD
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Topological
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Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
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