General Information of the Compound
| Compound ID |
CP0389450
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| Compound Name |
1'N-[1-(6-aminohexylcarbamoyl)-2-(1H-3-indolyl)-(1S)-ethyl]spiro[1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide
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| Structure |
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| Formula |
C31H39N5O2
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| Molecular Weight |
513.686
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| Canonical SMILES |
NCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CC1)C=Cc1ccccc21
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| InChI |
InChI=1S/C31H39N5O2/c32-17-7-1-2-8-18-33-29(37)28(21-24-22-34-27-12-6-4-10-25(24)27)35-30(38)36-19-15-31(16-20-36)14-13-23-9-3-5-11-26(23)31/h3-6,9-14,22,28,34H,1-2,7-8,15-21,32H2,(H,33,37)(H,35,38)/t28-/m0/s1
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| InChIKey |
ORNVPHMRSBGEQV-NDEPHWFRSA-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