General Information of the Compound
| Compound ID |
CP0536193
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| Compound Name |
methyl 2,3-dichloro-4-[(1S)-1-[[methyl-[1-[5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]piperidin-4-yl]carbamoyl]amino]ethyl]benzoate
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| Structure |
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| Formula |
C31H35Cl2N5O3
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| Molecular Weight |
596.559
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| Canonical SMILES |
COC(=O)c1ccc([C@H](C)NC(=O)N(C)C2CCN(CC2)C2CCc3cc(ccc23)-c2cc(C)ncn2)c(Cl)c1Cl
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| InChI |
InChI=1S/C31H35Cl2N5O3/c1-18-15-26(35-17-34-18)21-5-7-24-20(16-21)6-10-27(24)38-13-11-22(12-14-38)37(3)31(40)36-19(2)23-8-9-25(30(39)41-4)29(33)28(23)32/h5,7-9,15-17,19,22,27H,6,10-14H2,1-4H3,(H,36,40)/t19-,27?/m0/s1
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| InChIKey |
TXDARECFEIRNST-JDEXWRGDSA-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