General Information of the Compound
| Compound ID |
CP0206923
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| Compound Name |
(2S)-2-[[4-[6-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)hexyl]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C24H29N5O6
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| Molecular Weight |
483.525
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| Canonical SMILES |
Nc1nc2[nH]c(CCCCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H29N5O6/c25-24-28-20-17(22(33)29-24)13-16(26-20)6-4-2-1-3-5-14-7-9-15(10-8-14)21(32)27-18(23(34)35)11-12-19(30)31/h7-10,13,18H,1-6,11-12H2,(H,27,32)(H,30,31)(H,34,35)(H4,25,26,28,29,33)/t18-/m0/s1
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| InChIKey |
RPYYKEVLDNHRJX-SFHVURJKSA-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