General Information of the Compound
| Compound ID |
CP0953123
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| Compound Name |
((2R,4S)-4-(5-(Aminomethyl)-3-methyl-1H-pyrazol-1-yl)-2-(1-(4-chlorobenzyl)-5-methyl-1H-indol-2-yl)pyrrolidin-1-yl)(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
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| Structure |
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| Formula |
C34H34ClN7O
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| Molecular Weight |
592.147
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| Canonical SMILES |
Cc1ccc2c(c1)cc([C@H]1C[C@H](n3nc(C)cc3CN)CN1C(=O)c1cnc3[nH]c(C)cc3c1)n2Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C34H34ClN7O/c1-20-4-9-30-24(10-20)14-31(40(30)18-23-5-7-27(35)8-6-23)32-15-29(42-28(16-36)12-22(3)39-42)19-41(32)34(43)26-13-25-11-21(2)38-33(25)37-17-26/h4-14,17,29,32H,15-16,18-19,36H2,1-3H3,(H,37,38)/t29-,32+/m0/s1
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| InChIKey |
LJMIMBZGIMDSPE-BHDXBOSCSA-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