General Information of the Compound
| Compound ID |
CP0385472
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| Compound Name |
(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide
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| Synonyms |
(1R,2R)-2-PCCA
1287205-42-8
BDBM50065915
CS-0022096
GTPL7798
HY-100013A
PMID24793972C2
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| Structure |
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| Formula |
C30H37N3O
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| Molecular Weight |
455.646
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| Canonical SMILES |
CCCc1ccc(cc1)-c1ccc(cc1)N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]1C[C@H]1c1ccccn1
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| InChI |
InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1
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| InChIKey |
OBGKRTYDTRUMGO-RFNYNIMXSA-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
Clinical Information about the Compound