General Information of the Compound
| Compound ID |
CP0373255
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| Compound Name |
1-adamantan-1-yl-3-(1-oxo-2,3,4,9-tetrahydro-1H-beta-carbolin-6-yl)-urea
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| Structure |
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| Formula |
C22H26N4O2
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| Molecular Weight |
378.476
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| Canonical SMILES |
O=C(Nc1ccc2[nH]c3c(CCNC3=O)c2c1)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C22H26N4O2/c27-20-19-16(3-4-23-20)17-8-15(1-2-18(17)25-19)24-21(28)26-22-9-12-5-13(10-22)7-14(6-12)11-22/h1-2,8,12-14,25H,3-7,9-11H2,(H,23,27)(H2,24,26,28)
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| InChIKey |
ITRWUSNGYHQYCD-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