General Information of the Compound
| Compound ID |
CP0300787
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| Compound Name |
(2S)-2-[[4-(11,13-diamino-2,4,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl)benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C21H25N7O5
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| Molecular Weight |
455.475
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| Canonical SMILES |
Nc1nc(N)c2N3CN(CC3CCc2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C21H25N7O5/c22-18-17-14(25-21(23)26-18)6-5-13-9-27(10-28(13)17)12-3-1-11(2-4-12)19(31)24-15(20(32)33)7-8-16(29)30/h1-4,13,15H,5-10H2,(H,24,31)(H,29,30)(H,32,33)(H4,22,23,25,26)/t13?,15-/m0/s1
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| InChIKey |
HXNSTZLOKVLZTG-WUJWULDRSA-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