General Information of the Compound
| Compound ID |
CP0422786
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| Compound Name |
Bms 813160
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| Synonyms |
BMS-585059
BMS-813160
CCR2/CCR5 chemokine antagonist (immune disorders, cardiovascular disorders), BMS
CCR2/CCR5 dual antagonist (cardiovascular disease), Bristol-Myers Squibb
CCR2/CCR5 dual antagonist (immunology), Bristol-Myers Squibb
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| Structure |
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| Formula |
C25H40N8O2
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| Molecular Weight |
484.649
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| Canonical SMILES |
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
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| InChI |
InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1
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| InChIKey |
CMVHFGNTABZQJU-HCXYKTFWSA-N
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| CAS |
1286279-29-5
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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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Clinical Information about the Compound