General Information of the Compound
| Compound ID |
CP0467894
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| Compound Name |
1'N-[2-(1H-3-indolyl)-1-phenylcarbamoyl-(1S)-ethyl]spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide
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| Structure |
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| Formula |
C31H32N4O2
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| Molecular Weight |
492.623
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| Canonical SMILES |
O=C(Nc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C31H32N4O2/c36-29(33-24-9-2-1-3-10-24)28(20-23-21-32-27-13-7-5-11-25(23)27)34-30(37)35-18-16-31(17-19-35)15-14-22-8-4-6-12-26(22)31/h1-13,21,28,32H,14-20H2,(H,33,36)(H,34,37)/t28-/m0/s1
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| InChIKey |
GRCAJEWCJFPPOS-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