General Information of the Compound
| Compound ID |
CP0564909
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| Compound Name |
tert-butyl 4-[cyclopropylmethyl-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
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| Formula |
C27H37N5O4S
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| Molecular Weight |
527.691
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(CC1CC1)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C27H37N5O4S/c1-27(2,3)36-26(33)30-12-10-21(11-13-30)32(17-19-5-6-19)25-16-24(28-18-29-25)31-14-9-20-15-22(37(4,34)35)7-8-23(20)31/h7-8,15-16,18-19,21H,5-6,9-14,17H2,1-4H3
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| InChIKey |
MWJGHTCAUIEAFC-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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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