General Information of the Compound
| Compound ID |
CP0875513
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| Compound Name |
1-((S)-2-((R)-2-(4-(aminomethyl)piperidine-1-carbonyl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-3,3,3-triphenylpropan-1-one trifluoroacetic acid
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| Structure |
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| Formula |
C39H45F3N4O5
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| Molecular Weight |
706.806
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| Canonical SMILES |
NCC1CCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C37H44N4O3.C2HF3O2/c38-27-28-20-24-39(25-21-28)35(43)32-18-11-23-41(32)36(44)33-19-10-22-40(33)34(42)26-37(29-12-4-1-5-13-29,30-14-6-2-7-15-30)31-16-8-3-9-17-31;3-2(4,5)1(6)7/h1-9,12-17,28,32-33H,10-11,18-27,38H2;(H,6,7)/t32-,33+;/m1./s1
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| InChIKey |
SIIRFLRGILJEAH-VMXYRSAXSA-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