General Information of the Compound
| Compound ID |
CP0185766
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| Compound Name |
[4-[6-amino-5-[(4-tert-butylphenyl)methoxy]pyridin-3-yl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C32H40N4O2
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| Molecular Weight |
512.698
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| Canonical SMILES |
CC(C)(C)c1ccc(COc2cc(cnc2N)-c2ccc(cc2)C(=O)N2CCC[C@@H]2CN2CCCC2)cc1
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| InChI |
InChI=1S/C32H40N4O2/c1-32(2,3)27-14-8-23(9-15-27)22-38-29-19-26(20-34-30(29)33)24-10-12-25(13-11-24)31(37)36-18-6-7-28(36)21-35-16-4-5-17-35/h8-15,19-20,28H,4-7,16-18,21-22H2,1-3H3,(H2,33,34)/t28-/m1/s1
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| InChIKey |
XRNCYEAKFAKLOH-MUUNZHRXSA-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