General Information of the Compound
| Compound ID |
CP0164699
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| Compound Name |
5-Amino-2-{4-[(2-amino-4-oxo-2,3,4,4a,5,6,7,8-octahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid
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| Structure |
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| Formula |
C20H27N7O4
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| Molecular Weight |
429.481
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| Canonical SMILES |
NCCCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O
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| InChI |
InChI=1S/C20H27N7O4/c21-7-1-2-15(19(30)31)25-17(28)12-3-5-13(6-4-12)23-9-11-8-14-16(24-10-11)26-20(22)27-18(14)29/h3-6,11,15,23H,1-2,7-10,21H2,(H,25,28)(H,30,31)(H4,22,24,26,27,29)
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| InChIKey |
YYXQTKSKWJEYRP-UHFFFAOYSA-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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