General Information of the Compound
| Compound ID |
CP0406122
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| Compound Name |
(2R,3R,4S)-3-prop-2-enyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
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| Structure |
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| Formula |
C11H12N2O2
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| Molecular Weight |
204.229
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| Canonical SMILES |
OC(=O)c1n[nH]c2[C@@H]3[C@H](CC=C)[C@@H]3Cc12
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| InChI |
InChI=1S/C11H12N2O2/c1-2-3-5-6-4-7-9(8(5)6)12-13-10(7)11(14)15/h2,5-6,8H,1,3-4H2,(H,12,13)(H,14,15)/t5-,6+,8-/m1/s1
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| InChIKey |
PFNXDXYYLHIYHO-GKROBHDKSA-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