General Information of the Compound
| Compound ID |
CP0272616
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| Compound Name |
4-[(5,5-Dimethyl-8-thiophen-2-yl-5,6-dihydro-naphthalene-2-carbonyl)-amino]-benzoic acid
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| Structure |
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| Formula |
C24H21NO3S
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| Molecular Weight |
403.503
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| Canonical SMILES |
CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H21NO3S/c1-24(2)12-11-18(21-4-3-13-29-21)19-14-16(7-10-20(19)24)22(26)25-17-8-5-15(6-9-17)23(27)28/h3-11,13-14H,12H2,1-2H3,(H,25,26)(H,27,28)
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| InChIKey |
RDUFCVJASUIVOF-UHFFFAOYSA-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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