General Information of the Compound
| Compound ID |
CP0546788
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| Compound Name |
N-(3-methylcyclopentyl)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
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| Structure |
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| Formula |
C18H23N3O2
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| Molecular Weight |
313.401
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| Canonical SMILES |
CC1CCC(C1)NC1CCCc2c1[nH]c1ccc(cc21)[N+]([O-])=O
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| InChI |
InChI=1S/C18H23N3O2/c1-11-5-6-12(9-11)19-17-4-2-3-14-15-10-13(21(22)23)7-8-16(15)20-18(14)17/h7-8,10-12,17,19-20H,2-6,9H2,1H3
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| InChIKey |
JSGDWGPUTMTPQH-UHFFFAOYSA-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