General Information of the Compound
| Compound ID |
CP0389140
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| Compound Name |
CHEMBL3360672
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| Formula |
C24H24N6O2
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| Molecular Weight |
428.496
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccc(c2)N=[N+]=[N-])-c2ccccc2)CC1
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| InChI |
InChI=1S/C24H24N6O2/c25-30-29-20-8-4-7-19(13-20)22-14-21(17-5-2-1-3-6-17)27-24(28-22)26-15-16-9-11-18(12-10-16)23(31)32/h1-8,13-14,16,18H,9-12,15H2,(H,31,32)(H,26,27,28)/t16-,18-
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| InChIKey |
NIZOQSOPJDPFMB-SAABIXHNSA-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