General Information of the Compound
| Compound ID |
CP0931090
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| Compound Name |
(S)-2-(5-{[N-methyl-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)methylamino]carbonyl}thiophene-2-carbonyl)aminopentanedioic acid
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| Structure |
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| Formula |
C19H20N6O7S
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| Molecular Weight |
476.471
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| Canonical SMILES |
CN(Cc1cc2c(=O)[nH]c(N)nc2[nH]1)C(=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1
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| InChI |
InChI=1S/C19H20N6O7S/c1-25(7-8-6-9-14(21-8)23-19(20)24-15(9)28)17(30)12-4-3-11(33-12)16(29)22-10(18(31)32)2-5-13(26)27/h3-4,6,10H,2,5,7H2,1H3,(H,22,29)(H,26,27)(H,31,32)(H4,20,21,23,24,28)/t10-/m0/s1
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| InChIKey |
BKUDPRADHAQHKH-JTQLQIEISA-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
Protein ID: PT04881, Folate receptor alpha
Protein ID: PT05580, Proton-coupled folate transporter