General Information of the Compound
| Compound ID |
CP0398130
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| Compound Name |
methyl 5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoate
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| Structure |
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| Formula |
C30H40N2O3
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| Molecular Weight |
476.661
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| Canonical SMILES |
COC(=O)CCCC(=O)NC1(CCCC1)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1
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| InChI |
InChI=1S/C30H40N2O3/c1-23-7-6-21-32(23)22-18-24-10-12-25(13-11-24)26-14-16-27(17-15-26)30(19-3-4-20-30)31-28(33)8-5-9-29(34)35-2/h10-17,23H,3-9,18-22H2,1-2H3,(H,31,33)/t23-/m1/s1
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| InChIKey |
AUOUNTFIDHVYOR-HSZRJFAPSA-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