General Information of the Compound
| Compound ID |
CP0515839
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| Compound Name |
(2E)-N-(3-{2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}propyl)-3-(1H-indol-3-yl)prop-2-enamide
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| Structure |
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| Formula |
C27H31N3O
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| Molecular Weight |
413.565
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| Canonical SMILES |
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)\C=C\c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H31N3O/c31-26(11-10-22-20-29-25-9-4-2-7-23(22)25)28-16-5-17-30-18-14-27(15-19-30)13-12-21-6-1-3-8-24(21)27/h1-4,6-11,20,29H,5,12-19H2,(H,28,31)/b11-10+
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| InChIKey |
XUFDJEVCGIWXTL-ZHACJKMWSA-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