General Information of the Compound
| Compound ID |
CP0955514
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| Compound Name |
(1R,3R)-methyl 1-(4-(methoxycarbonyl)phenyl)-2-(5-methyl-4-nitroisoxazole-3-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
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| Formula |
C26H22N4O8
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| Molecular Weight |
518.482
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| Canonical SMILES |
COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)OC)N2C(=O)c2noc(C)c2[N+](=O)[O-])cc1
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| InChI |
InChI=1S/C26H22N4O8/c1-13-22(30(34)35)21(28-38-13)24(31)29-19(26(33)37-3)12-17-16-6-4-5-7-18(16)27-20(17)23(29)14-8-10-15(11-9-14)25(32)36-2/h4-11,19,23,27H,12H2,1-3H3/t19-,23-/m1/s1
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| InChIKey |
DVJHBYSSZLZVAO-AUSIDOKSSA-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