General Information of the Compound
| Compound ID |
CP0381865
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| Compound Name |
N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
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| Structure |
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| Formula |
C19H23N5
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| Molecular Weight |
321.428
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| Canonical SMILES |
C[C@@H]1[C@H]2C[C@@H](C[C@H]1Nc1ncnc3c1nn1ccccc31)C2(C)C
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| InChI |
InChI=1S/C19H23N5/c1-11-13-8-12(19(13,2)3)9-14(11)22-18-17-16(20-10-21-18)15-6-4-5-7-24(15)23-17/h4-7,10-14H,8-9H2,1-3H3,(H,20,21,22)/t11-,12+,13-,14-/m1/s1
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| InChIKey |
YWDRLQJERKWZHT-XJFOESAGSA-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