General Information of the Compound
| Compound ID |
CP0378763
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| Compound Name |
5-({4-[(3S)-4-(5-Bromo-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}carbonyl)-4,6-dimethylpyrimidine
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| Structure |
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| Formula |
C27H36BrN5O
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| Molecular Weight |
526.523
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| Canonical SMILES |
C[C@H]1CN(CCN1C1CCc2cc(Br)ccc12)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
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| InChI |
InChI=1S/C27H36BrN5O/c1-18-16-32(13-14-33(18)24-8-5-21-15-22(28)6-7-23(21)24)27(4)9-11-31(12-10-27)26(34)25-19(2)29-17-30-20(25)3/h6-7,15,17-18,24H,5,8-14,16H2,1-4H3/t18-,24?/m0/s1
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| InChIKey |
QMJHLHFALIYCPJ-VEXWJQHLSA-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