General Information of the Compound
| Compound ID |
CP0425256
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| Compound Name |
1'N-[1-(3-aminopropylcarbamoyl)-2-(1H-3-indolyl)-(1S)-ethyl]spiro[1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide
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| Structure |
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| Formula |
C28H33N5O2
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| Molecular Weight |
471.605
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| Canonical SMILES |
NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CC1)C=Cc1ccccc21
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| InChI |
InChI=1S/C28H33N5O2/c29-14-5-15-30-26(34)25(18-21-19-31-24-9-4-2-7-22(21)24)32-27(35)33-16-12-28(13-17-33)11-10-20-6-1-3-8-23(20)28/h1-4,6-11,19,25,31H,5,12-18,29H2,(H,30,34)(H,32,35)/t25-/m0/s1
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| InChIKey |
QOFVXCHWHWXKBR-VWLOTQADSA-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