Cyclosporine

This chemical is called Cyclosporin(a cyclic undecapeptide from an extract of soil fungi), and its CAS registry number is 79217-60-0. With the molecular formula of C₆₂H₁₁₁N₁₁O₁₂, its molecular weight is 1202.61. Additionally, its classification codes are Drug / Therapeutic Agent; Human Data; Tumor data. It is a powerful immunosupressant with a specific action on T-lymphocytes. And it's used for the prophylaxis of graft rejection in organ and tissue transplantation.

Other characteristics of the Cyclosporin can be summarised as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 207.11; (6)ACD/BCF (pH 7.4): 207.11; (7)ACD/KOC (pH 5.5): 1582.2; (8)ACD/KOC (pH 7.4): 1582.2; (9)#H bond acceptors: 23; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 232.64 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 328.83 cm³; (15)Molar Volume: 1183.6 cm³; (16)Polarizability: 130.35×10^-24cm³; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.016 g/cm³; (19)Flash Point: 736.3 °C; (20)Enthalpy of Vaporization: 218.52 kJ/mol; (21)Boiling Point: 1293.8 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1NC(C(=O)N(C)C(C(=O)NC(C(=O)NC(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C)C(C(=O)N(C(C(=O)NC(C(=O)N(C)CC(=O)N(C)C1CC(C)C)CC)[C@H](O)[C@H](C)C/C=C/C)C)C(C)C)CC(C)C)CC(C)C)C)C)CC(C)C)C(C)C
2.InChI: InChI=1/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41?,42?,43?,44?,45?,46?,47?,49?,50?,51?,52-/m1/s1
3.InChIKey: PMATZTZNYRCHOR-KMSBSJHKBQ

The toxicity data is as follows: