General Information of the Compound
| Compound ID |
CP0496207
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| Compound Name |
3-pyrrolidin-1-yl-N-[[5-[(3-pyrrolidin-1-ylpropanoylamino)methyl]acridin-4-yl]methyl]propanamide
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| Structure |
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| Formula |
C29H37N5O2
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| Molecular Weight |
487.648
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| Canonical SMILES |
O=C(CCN1CCCC1)NCc1cccc2cc3cccc(CNC(=O)CCN4CCCC4)c3nc12
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| InChI |
InChI=1S/C29H37N5O2/c35-26(11-17-33-13-1-2-14-33)30-20-24-9-5-7-22-19-23-8-6-10-25(29(23)32-28(22)24)21-31-27(36)12-18-34-15-3-4-16-34/h5-10,19H,1-4,11-18,20-21H2,(H,30,35)(H,31,36)
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| InChIKey |
NOCHRQUOQDWJPE-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