General Information of the Compound
| Compound ID |
CP0236164
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| Compound Name |
methyl (3S)-2-(1-adamantylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
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| Structure |
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| Formula |
C24H29N3O3
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| Molecular Weight |
407.514
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| Canonical SMILES |
COC(=O)[C@@H]1Cc2c(CN1C(=O)NC13CC4CC(CC(C4)C1)C3)[nH]c1ccccc21
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| InChI |
InChI=1S/C24H29N3O3/c1-30-22(28)21-9-18-17-4-2-3-5-19(17)25-20(18)13-27(21)23(29)26-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-5,14-16,21,25H,6-13H2,1H3,(H,26,29)/t14?,15?,16?,21-,24?/m0/s1
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| InChIKey |
MZWMPUXEJIICDD-IXQOCIMPSA-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