General Information of the Compound
| Compound ID |
CP0139490
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| Compound Name |
6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
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| Structure |
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| Formula |
C30H31N5O3
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| Molecular Weight |
509.61
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| Canonical SMILES |
Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCN(CC2CC2)CC1
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| InChI |
InChI=1S/C30H31N5O3/c1-18-15-25-26(32(3)30(38)31(25)2)16-24(18)35-28(36)21-6-4-5-20-23(10-9-22(27(20)21)29(35)37)34-13-11-33(12-14-34)17-19-7-8-19/h4-6,9-10,15-16,19H,7-8,11-14,17H2,1-3H3
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| InChIKey |
MQQWUSICUOGGBD-UHFFFAOYSA-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