General Information of the Compound
| Compound ID |
CP0910414
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| Compound Name |
SID103162717
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| Structure |
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| Formula |
C30H29Cl2N3O2
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| Molecular Weight |
534.487
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| Canonical SMILES |
O=C(NC(c1ccccc1)c1ccc2ccccc2n1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1
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| InChI |
InChI=1S/C30H29Cl2N3O2/c31-24-11-13-28(25(32)20-24)37-19-18-35-16-14-23(15-17-35)30(36)34-29(22-7-2-1-3-8-22)27-12-10-21-6-4-5-9-26(21)33-27/h1-13,20,23,29H,14-19H2,(H,34,36)
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| InChIKey |
DLDMNWMLAYLBII-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3