General Information of the Compound
| Compound ID |
CP0470401
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| Compound Name |
6-amino-2-[2-(1H-3-indolyl)-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylcarboxamido-(1S)-ethylcarboxamido]hexanoic acid
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| Structure |
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| Formula |
C31H37N5O4
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| Molecular Weight |
543.668
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| Canonical SMILES |
NCCCCC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CC1)C=Cc1ccccc21)C(O)=O
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| InChI |
InChI=1S/C31H37N5O4/c32-16-6-5-11-26(29(38)39)34-28(37)27(19-22-20-33-25-10-4-2-8-23(22)25)35-30(40)36-17-14-31(15-18-36)13-12-21-7-1-3-9-24(21)31/h1-4,7-10,12-13,20,26-27,33H,5-6,11,14-19,32H2,(H,34,37)(H,35,40)(H,38,39)/t26?,27-/m0/s1
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| InChIKey |
OHXQRUJAVMZGBC-GEVKEYJPSA-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