General Information of the Compound
| Compound ID |
CP0421237
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| Compound Name |
N-[(Z)-anthracen-9-ylmethylideneamino]-6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
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| Structure |
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| Formula |
C25H18N6
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| Molecular Weight |
402.461
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| Canonical SMILES |
Cc1cccc2c3nnc(N\N=C/c4c5ccccc5cc5ccccc45)nc3[nH]c12
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| InChI |
InChI=1S/C25H18N6/c1-15-7-6-12-20-22(15)27-24-23(20)29-31-25(28-24)30-26-14-21-18-10-4-2-8-16(18)13-17-9-3-5-11-19(17)21/h2-14H,1H3,(H2,27,28,30,31)/b26-14-
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| InChIKey |
BDUKBHXDUOFMQX-WGARJPEWSA-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
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1