General Information of the Compound
| Compound ID |
CP0240649
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| Compound Name |
5-[2-[4-(cyclopropanecarbonylamino)butylcarbamoyl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C28H37N5O3
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| Molecular Weight |
491.636
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| Canonical SMILES |
O=C(NCCCCNC(=O)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1)C1CC1
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| InChI |
InChI=1S/C28H37N5O3/c34-26(21-10-11-21)30-12-3-4-13-32-28(36)25-9-2-1-8-24(25)22-18-23(20-29-19-22)27(35)31-14-7-17-33-15-5-6-16-33/h1-2,8-9,18-21H,3-7,10-17H2,(H,30,34)(H,31,35)(H,32,36)
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| InChIKey |
WKLOSYPDNLGIKG-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